 | | BKX | | Name: | (1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name) | | Formula: | C36 H50 Cl N3 O10 S2 | | SMILES: | c42cc(c(Cl)c(N(C)C(CC(C1(C)C(O1)C(C)C3CC(C(OC)C=CC=C(C)C2)(NC(=O)O3)O)OC(C(C)N(C)C(=O)CCSSC)=O)=O)c4)OC | | InChi: | InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10+,20-11+/t21-,22+,26+,27-,28-,32-,35-,36+/m1/s1 | | Definition date: | 2019-02-20 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | (1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name) |
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 | | TVT | | Name: | 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile | | Formula: | C14 H16 F3 N7 | | SMILES: | CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F | | InChi: | InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22) | | Synonyms: | 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile | | Definition date: | 2021-01-14 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile |
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 | | TVW | | Name: | 1H-pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C5 H5 N5 | | SMILES: | Nc1ncnc2n[nH]cc12 | | InChi: | InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H3,6,7,8,9,10) | | Synonyms: | 2~{H}-pyrazolo[3,4-d]pyrimidin-4-amine | | Definition date: | 2021-01-14 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2~{H}-pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | TW2 | | Name: | 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C15 H13 F N6 | | SMILES: | Cn1c(NCc2ccccc2F)c(C#N)c3c(N)ncnc13 | | InChi: | InChI=1S/C15H13FN6/c1-22-14(19-7-9-4-2-3-5-11(9)16)10(6-17)12-13(18)20-8-21-15(12)22/h2-5,8,19H,7H2,1H3,(H2,18,20,21) | | Synonyms: | 4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Definition date: | 2021-01-14 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | TWH | | Name: | 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C13 H16 N6 | | SMILES: | C[CH]1CCCN1c2n(C)c3ncnc(N)c3c2C#N | | InChi: | InChI=1S/C13H16N6/c1-8-4-3-5-19(8)13-9(6-14)10-11(15)16-7-17-12(10)18(13)2/h7-8H,3-5H2,1-2H3,(H2,15,16,17)/t8-/m1/s1 | | Synonyms: | 4-azanyl-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Definition date: | 2021-01-14 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 4-azanyl-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | TWK | | Name: | 4-amino-6-(2,3-difluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C14 H9 F2 N5 | | SMILES: | Cn1c2ncnc(N)c2c(C#N)c1c3cccc(F)c3F | | InChi: | InChI=1S/C14H9F2N5/c1-21-12(7-3-2-4-9(15)11(7)16)8(5-17)10-13(18)19-6-20-14(10)21/h2-4,6H,1H3,(H2,18,19,20) | | Synonyms: | 4-azanyl-6-[2,3-bis(fluoranyl)phenyl]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Definition date: | 2021-01-14 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 4-azanyl-6-[2,3-bis(fluoranyl)phenyl]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | U0K | | Name: | 4-amino-7-methyl-2-({5-methyl-1-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C21 H27 N9 O | | SMILES: | C[CH]1CCCN1c2n(C)c3nc(Nc4cnn([CH]5CCOC5)c4C)nc(N)c3c2C#N | | InChi: | InChI=1S/C21H27N9O/c1-12-5-4-7-29(12)20-15(9-22)17-18(23)26-21(27-19(17)28(20)3)25-16-10-24-30(13(16)2)14-6-8-31-11-14/h10,12,14H,4-8,11H2,1-3H3,(H3,23,25,26,27)/t12-,14-/m1/s1 | | Synonyms: | 4-azanyl-7-methyl-2-[[5-methyl-1-[(3~{R})-oxolan-3-yl]pyrazol-4-yl]amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Definition date: | 2021-01-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 4-azanyl-7-methyl-2-[[5-methyl-1-[(3~{R})-oxolan-3-yl]pyrazol-4-yl]amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | U0N | | Name: | 4-amino-2-[(1,3-dimethyl-1H-pyrazol-4-yl)amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C18 H23 N9 | | SMILES: | C[CH]1CCCN1c2n(C)c3nc(Nc4cn(C)nc4C)nc(N)c3c2C#N | | InChi: | InChI=1S/C18H23N9/c1-10-6-5-7-27(10)17-12(8-19)14-15(20)22-18(23-16(14)26(17)4)21-13-9-25(3)24-11(13)2/h9-10H,5-7H2,1-4H3,(H3,20,21,22,23)/t10-/m1/s1 | | Synonyms: | 4-azanyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Definition date: | 2021-01-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 4-azanyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | U0Q | | Name: | 4-amino-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C17 H21 N9 | | SMILES: | C[CH]1CCCN1c2n(C)c3nc(Nc4cnn(C)c4)nc(N)c3c2C#N | | InChi: | InChI=1S/C17H21N9/c1-10-5-4-6-26(10)16-12(7-18)13-14(19)22-17(23-15(13)25(16)3)21-11-8-20-24(2)9-11/h8-10H,4-6H2,1-3H3,(H3,19,21,22,23)/t10-/m1/s1 | | Synonyms: | 4-azanyl-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Definition date: | 2021-01-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 4-azanyl-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | U0T | | Name: | 4-amino-7-methyl-2-({5-methyl-1-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C21 H27 N9 O | | SMILES: | C[CH]1CCCN1c2n(C)c3nc(Nc4cnn([CH]5CCOC5)c4C)nc(N)c3c2C#N | | InChi: | InChI=1S/C21H27N9O/c1-12-5-4-7-29(12)20-15(9-22)17-18(23)26-21(27-19(17)28(20)3)25-16-10-24-30(13(16)2)14-6-8-31-11-14/h10,12,14H,4-8,11H2,1-3H3,(H3,23,25,26,27)/t12-,14+/m1/s1 | | Synonyms: | 4-azanyl-7-methyl-2-[[5-methyl-1-[(3~{S})-oxolan-3-yl]pyrazol-4-yl]amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Definition date: | 2021-01-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 4-azanyl-7-methyl-2-[[5-methyl-1-[(3~{S})-oxolan-3-yl]pyrazol-4-yl]amino]-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | HNO | | Name: | N-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine | | Formula: | C12 H13 Cl2 N3 | | SMILES: | CC(C)(C)Nc1cnc2cc(Cl)c(Cl)cc2n1 | | InChi: | InChI=1S/C12H13Cl2N3/c1-12(2,3)17-11-6-15-9-4-7(13)8(14)5-10(9)16-11/h4-6H,1-3H3,(H,16,17) | | Definition date: | 2021-01-20 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | ~{N}-~{tert}-butyl-6,7-bis(chloranyl)quinoxalin-2-amine |
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 | | HZ0 | | Name: | (10E,12E)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(3-(methylsulfinothioyl)propanoyl)-D-alaninate | | Formula: | C36 H50 Cl N3 O10 S2 | | SMILES: | CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)[CH](C)N(C)C(=O)CCSSC)[C]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4 | | InChi: | InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10+,20-11+/t21-,22-,26+,27-,28+,32+,35?,36+/m1/s1 | | Definition date: | 2021-02-25 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 |
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 | | JEO | | Name: | (3~{Z},5~{R},8~{R},9~{S},10~{R},13~{S},14~{S})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione | | Formula: | C21 H32 N2 O3 | | SMILES: | C[C]12CCC(C[CH]1C(=O)C[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O)=NOCCN | | InChi: | InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13-/t14-,15-,16-,17-,20+,21-/m0/s1 | | Definition date: | 2021-05-27 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | (3~{Z},5~{R},8~{R},9~{S},10~{R},13~{S},14~{S})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione |
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 | | RYK | | Name: | (5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide | | Formula: | C24 H28 N2 O7 | | SMILES: | CCNC(=O)N1CCc2cc3OCOc3c(OC)c2[CH]1[CH]4OCc5c4ccc(OC)c5OC | | InChi: | InChI=1S/C24H28N2O7/c1-5-25-24(27)26-9-8-13-10-17-22(33-12-32-17)23(30-4)18(13)19(26)21-14-6-7-16(28-2)20(29-3)15(14)11-31-21/h6-7,10,19,21H,5,8-9,11-12H2,1-4H3,(H,25,27)/t19-,21+/m1/s1 | | Definition date: | 2020-11-03 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | (5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide |
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 | | T4Q | | Name: | 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide | | Formula: | C17 H16 N2 O S2 | | SMILES: | SCCCNC(=O)c1ccccc1Sc2ccccc2C#N | | InChi: | InChI=1S/C17H16N2OS2/c18-12-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)17(20)19-10-5-11-21/h1-4,6-9,21H,5,10-11H2,(H,19,20) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide |
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 | | T4W | | Name: | 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide | | Formula: | C16 H14 N2 O S2 | | SMILES: | SCCNC(=O)c1ccccc1Sc2ccccc2C#N | | InChi: | InChI=1S/C16H14N2OS2/c17-11-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)16(19)18-9-10-20/h1-8,20H,9-10H2,(H,18,19) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide |
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 | | T4Z | | Name: | 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide | | Formula: | C11 H14 Cl N O S2 | | SMILES: | SCCCNC(=O)CSc1ccc(Cl)cc1 | | InChi: | InChI=1S/C11H14ClNOS2/c12-9-2-4-10(5-3-9)16-8-11(14)13-6-1-7-15/h2-5,15H,1,6-8H2,(H,13,14) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide |
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 | | T5N | | Name: | 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H16 Br N O2 S | | SMILES: | CC(C)(Oc1ccc(Br)cc1)C(=O)NCCS | | InChi: | InChI=1S/C12H16BrNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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 | | T5Q | | Name: | 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H15 F2 N O2 S | | SMILES: | CC(C)(Oc1cc(F)cc(F)c1)C(=O)NCCS | | InChi: | InChI=1S/C12H15F2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(H,15,16) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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 | | T5T | | Name: | 2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H16 F N O2 S | | SMILES: | CC(C)(Oc1ccc(F)cc1)C(=O)NCCS | | InChi: | InChI=1S/C12H16FNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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 | | T5W | | Name: | 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H15 Cl2 N O2 S | | SMILES: | CC(C)(Oc1cc(Cl)cc(Cl)c1)C(=O)NCCS | | InChi: | InChI=1S/C12H15Cl2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(H,15,16) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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 | | T5Z | | Name: | 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C13 H18 Br N O3 S | | SMILES: | COc1cc(OC(C)(C)C(=O)NCCS)ccc1Br | | InChi: | InChI=1S/C13H18BrNO3S/c1-13(2,12(16)15-6-7-19)18-9-4-5-10(14)11(8-9)17-3/h4-5,8,19H,6-7H2,1-3H3,(H,15,16) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
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 | | T6H | | Name: | 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H17 N O2 S | | SMILES: | CC(C)(Oc1ccccc1)C(=O)NCCS | | InChi: | InChI=1S/C12H17NO2S/c1-12(2,11(14)13-8-9-16)15-10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H,13,14) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide |
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 | | T6N | | Name: | 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C13 H19 N O2 S | | SMILES: | Cc1ccc(OC(C)(C)C(=O)NCCS)cc1 | | InChi: | InChI=1S/C13H19NO2S/c1-10-4-6-11(7-5-10)16-13(2,3)12(15)14-8-9-17/h4-7,17H,8-9H2,1-3H3,(H,14,15) | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide |
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 | | T6W | | Name: | 2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H16 Cl N2 O4 S | | SMILES: | CC(C)(Oc1ccc(cc1Cl)[N+](O)=O)C(=O)NCCS | | InChi: | InChI=1S/C12H15ClN2O4S/c1-12(2,11(16)14-5-6-20)19-10-4-3-8(15(17)18)7-9(10)13/h3-4,7H,5-6H2,1-2H3,(H2-,14,16,17,18,20)/p+1 | | Definition date: | 2020-12-15 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | [3-chloranyl-4-[2-methyl-1-oxidanylidene-1-(2-sulfanylethylamino)propan-2-yl]oxy-phenyl]-oxidanyl-oxidanylidene-azanium |
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