 | | V7S | | Name: | 1,3-bis[(methylsulfanyl)methyl]benzene | | Formula: | C10 H14 S2 | | SMILES: | CSCc1cccc(c1)CSC | | InChi: | InChI=1S/C10H14S2/c1-11-7-9-4-3-5-10(6-9)8-12-2/h3-6H,7-8H2,1-2H3 | | Definition date: | 2020-07-13 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 1,3-bis[(methylsulfanyl)methyl]benzene |
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 | | WHD | | Name: | 4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile | | Formula: | C15 H13 F N2 | | SMILES: | N#Cc2ccc(CNCc1ccc(cc1)F)cc2 | | InChi: | InChI=1S/C15H13FN2/c16-15-7-5-14(6-8-15)11-18-10-13-3-1-12(9-17)2-4-13/h1-8,18H,10-11H2 | | Definition date: | 2020-10-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile |
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 | | WHY | | Name: | 4-[(dimethylamino)methyl]benzonitrile | | Formula: | C10 H12 N2 | | SMILES: | N#Cc1ccc(CN(C)C)cc1 | | InChi: | InChI=1S/C10H12N2/c1-12(2)8-10-5-3-9(7-11)4-6-10/h3-6H,8H2,1-2H3 | | Definition date: | 2020-10-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 4-[(dimethylamino)methyl]benzonitrile |
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 | | WK7 | | Name: | 3-fluoro-4-(piperazin-1-yl)benzonitrile | | Formula: | C11 H12 F N3 | | SMILES: | C2N(c1c(F)cc(C#N)cc1)CCNC2 | | InChi: | InChI=1S/C11H12FN3/c12-10-7-9(8-13)1-2-11(10)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2 | | Definition date: | 2020-10-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 3-fluoro-4-(piperazin-1-yl)benzonitrile |
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 | | WL7 | | Name: | 4-amino-N-(2-hydroxyethyl)-N-methylbenzene-1-sulfonamide | | Formula: | C9 H14 N2 O3 S | | SMILES: | c1c(ccc(c1)N)S(N(C)CCO)(=O)=O | | InChi: | InChI=1S/C9H14N2O3S/c1-11(6-7-12)15(13,14)9-4-2-8(10)3-5-9/h2-5,12H,6-7,10H2,1H3 | | Definition date: | 2020-10-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 4-amino-N-(2-hydroxyethyl)-N-methylbenzene-1-sulfonamide |
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 | | WLP | | Name: | 2-chlorobenzene-1-thiol | | Formula: | C6 H5 Cl S | | SMILES: | c1cccc(c1Cl)S | | InChi: | InChI=1S/C6H5ClS/c7-5-3-1-2-4-6(5)8/h1-4,8H | | Definition date: | 2020-10-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 2-chlorobenzene-1-thiol |
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 | | CD0 | | Name: | 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol | | Formula: | C21 H32 O2 | | SMILES: | c1(c(c(O)cc(c1)CCCCC)C2C(CCC(C2)C)/C(C)=C)O | | InChi: | InChI=1S/C21H32O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-13,15,17-18,22-23H,2,5-11H2,1,3-4H3/t15-,17-,18+/m0/s1 | | Definition date: | 2018-05-09 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol |
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 | | F5A | | Name: | 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid | | Formula: | C17 H15 Cl O4 | | SMILES: | C(C(=O)O)(C)(C)Oc1ccc(cc1)C(c2ccc(cc2)Cl)=O | | InChi: | InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21) | | Definition date: | 2019-01-23 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid |
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 | | SL4 | | Name: | 5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile | | Formula: | C23 H20 F N3 O4 S | | SMILES: | CC(C)(C)[CH]1N(Cc2ccc(F)c(c2)C#N)C(=O)C(=C1O)C3=N[S](=O)(=O)c4ccccc34 | | InChi: | InChI=1S/C23H20FN3O4S/c1-23(2,3)21-20(28)18(19-15-6-4-5-7-17(15)32(30,31)26-19)22(29)27(21)12-13-8-9-16(24)14(10-13)11-25/h4-10,21,28H,12H2,1-3H3/t21-/m1/s1 | | Definition date: | 2020-03-11 | | Last modified: | 2020-10-30 | | Release date: | 2020-11-04 | | Identifier: | 5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile |
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 | | RXJ | | Name: | 4-(4-methylpiperazin-1-yl)benzonitrile | | Formula: | C12 H15 N3 | | SMILES: | N2(c1ccc(cc1)C#N)CCN(CC2)C | | InChi: | InChI=1S/C12H15N3/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-9H2,1H3 | | Definition date: | 2020-02-28 | | Last modified: | 2020-10-23 | | Release date: | 2020-10-28 | | Identifier: | 4-(4-methylpiperazin-1-yl)benzonitrile |
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 | | RXS | | Name: | 3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile | | Formula: | C12 H11 N3 | | SMILES: | n2(Cc1cc(ccc1)C#N)c(ncc2)C | | InChi: | InChI=1S/C12H11N3/c1-10-14-5-6-15(10)9-12-4-2-3-11(7-12)8-13/h2-7H,9H2,1H3 | | Definition date: | 2020-02-28 | | Last modified: | 2020-10-23 | | Release date: | 2020-10-28 | | Identifier: | 3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile |
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 | | E4X | | Name: | 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide | | Formula: | C21 H18 Br N3 O4 S | | SMILES: | C[CH]([CH](N[S](=O)(=O)c1ccc(Br)cc1)C2=NNC(=O)O2)c3cccc4ccccc34 | | InChi: | InChI=1S/C21H18BrN3O4S/c1-13(17-8-4-6-14-5-2-3-7-18(14)17)19(20-23-24-21(26)29-20)25-30(27,28)16-11-9-15(22)10-12-16/h2-13,19,25H,1H3,(H,24,26)/t13-,19+/m1/s1 | | Definition date: | 2019-10-16 | | Last modified: | 2020-10-23 | | Release date: | 2020-10-28 | | Identifier: | 4-bromanyl-~{N}-[(1~{S},2~{R})-2-naphthalen-1-yl-1-(2-oxidanylidene-3~{H}-1,3,4-oxadiazol-5-yl)propyl]benzenesulfonamide |
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 | | V0Y | | Name: | 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile | | Formula: | C24 H23 F2 N5 O2 | | SMILES: | N#Cc1c(cc(cc1)C=3N=C(N2CCC(N)CC2)N(C(C=3c4cc(F)c(OC)cc4)=O)C)F | | InChi: | InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3 | | Definition date: | 2020-06-11 | | Last modified: | 2020-10-16 | | Release date: | 2020-10-21 | | Identifier: | 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile |
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 | | V9D | | Name: | N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide | | Formula: | C8 H8 N2 O4 | | SMILES: | C(=O)(NO)c1cccc(c1)C(NO)=O | | InChi: | InChI=1S/C8H8N2O4/c11-7(9-13)5-2-1-3-6(4-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12) | | Definition date: | 2020-07-20 | | Last modified: | 2020-10-09 | | Release date: | 2020-10-14 | | Identifier: | N~1~,N~3~-dihydroxybenzene-1,3-dicarboxamide |
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 | | VD8 | | Name: | 3,5-di~{tert}-butylbenzenesulfonamide | | Formula: | C14 H23 N O2 S | | SMILES: | CC(C)(C)c1cc(cc(c1)[S](N)(=O)=O)C(C)(C)C | | InChi: | InChI=1S/C14H23NO2S/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)18(15,16)17/h7-9H,1-6H3,(H2,15,16,17) | | Definition date: | 2019-10-17 | | Last modified: | 2020-10-09 | | Release date: | 2020-10-14 | | Identifier: | 3,5-di~{tert}-butylbenzenesulfonamide |
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 | | MJ2 | | Name: | 3,5-dimethylbenzenesulfonamide | | Formula: | C8 H11 N O2 S | | SMILES: | Cc1cc(C)cc(c1)[S](N)(=O)=O | | InChi: | InChI=1S/C8H11NO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11) | | Definition date: | 2019-10-15 | | Last modified: | 2020-10-09 | | Release date: | 2020-10-14 | | Identifier: | 3,5-dimethylbenzenesulfonamide |
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 | | MKQ | | Name: | 3,5-diphenylbenzenesulfonamide | | Formula: | C18 H15 N O2 S | | SMILES: | N[S](=O)(=O)c1cc(cc(c1)c2ccccc2)c3ccccc3 | | InChi: | InChI=1S/C18H15NO2S/c19-22(20,21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H,(H2,19,20,21) | | Definition date: | 2019-10-17 | | Last modified: | 2020-10-09 | | Release date: | 2020-10-14 | | Identifier: | 3,5-diphenylbenzenesulfonamide |
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 | | PJD | | Name: | 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene | | Formula: | C8 H8 Cl2 O2 S | | SMILES: | c1(c(cccc1Cl)Cl)CS(C)(=O)=O | | InChi: | InChI=1S/C8H8Cl2O2S/c1-13(11,12)5-6-7(9)3-2-4-8(6)10/h2-4H,5H2,1H3 | | Definition date: | 2019-08-07 | | Last modified: | 2020-10-02 | | Release date: | 2020-10-07 | | Identifier: | 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene |
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 | | PJP | | Name: | N,N-diethyl-4-methylbenzene-1-sulfonamide | | Formula: | C11 H17 N O2 S | | SMILES: | CCN(CC)S(c1ccc(cc1)C)(=O)=O | | InChi: | InChI=1S/C11H17NO2S/c1-4-12(5-2)15(13,14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3 | | Definition date: | 2019-08-12 | | Last modified: | 2020-10-02 | | Release date: | 2020-10-07 | | Identifier: | N,N-diethyl-4-methylbenzene-1-sulfonamide |
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 | | PKD | | Name: | (4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid | | Formula: | C11 H10 Cl N O3 S | | SMILES: | C(C1CSCN1C(c2ccc(cc2)Cl)=O)(O)=O | | InChi: | InChI=1S/C11H10ClNO3S/c12-8-3-1-7(2-4-8)10(14)13-6-17-5-9(13)11(15)16/h1-4,9H,5-6H2,(H,15,16)/t9-/m1/s1 | | Definition date: | 2019-08-12 | | Last modified: | 2020-10-02 | | Release date: | 2020-10-07 | | Identifier: | (4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid |
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 | | VVM | | Name: | 4-amino-N-phenylbenzene-1-sulfonamide | | Formula: | C12 H12 N2 O2 S | | SMILES: | Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2 | | InChi: | InChI=1S/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2 | | Definition date: | 2020-09-17 | | Last modified: | 2020-09-25 | | Release date: | 2020-09-30 | | Identifier: | 4-amino-N-phenylbenzene-1-sulfonamide |
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 | | PK4 | | Name: | 2-fluoro-N,3-dimethylbenzene-1-sulfonamide | | Formula: | C8 H10 F N O2 S | | SMILES: | CNS(c1c(c(C)ccc1)F)(=O)=O | | InChi: | InChI=1S/C8H10FNO2S/c1-6-4-3-5-7(8(6)9)13(11,12)10-2/h3-5,10H,1-2H3 | | Definition date: | 2019-08-12 | | Last modified: | 2020-09-25 | | Release date: | 2020-09-30 | | Identifier: | 2-fluoro-N,3-dimethylbenzene-1-sulfonamide |
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 | | U0G | | Name: | 4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile | | Formula: | C18 H20 N2 O3 | | SMILES: | COc2c(cc(c(CCNCc1c(cccc1)O)c2)OC)C#N | | InChi: | InChI=1S/C18H20N2O3/c1-22-17-10-15(11-19)18(23-2)9-13(17)7-8-20-12-14-5-3-4-6-16(14)21/h3-6,9-10,20-21H,7-8,12H2,1-2H3 | | Definition date: | 2020-04-08 | | Last modified: | 2020-09-18 | | Release date: | 2020-09-23 | | Identifier: | 4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile |
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 | | OXW | | Name: | 5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile | | Formula: | C20 H19 F N10 | | SMILES: | CN1CCC(CC1)n2cc(Nc3ncc4nnn(c5ccc(F)cc5C#N)c4n3)cn2 | | InChi: | InChI=1S/C20H19FN10/c1-29-6-4-16(5-7-29)30-12-15(10-24-30)25-20-23-11-17-19(26-20)31(28-27-17)18-3-2-14(21)8-13(18)9-22/h2-3,8,10-12,16H,4-7H2,1H3,(H,23,25,26) | | Definition date: | 2020-04-07 | | Last modified: | 2020-09-18 | | Release date: | 2020-09-23 | | Identifier: | 5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile |
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 | | 106 | | Name: | 4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide | | Formula: | C14 H11 Br N4 O3 S | | SMILES: | N1C(/C(c2cc(ccc12)Br)=NNc3ccc(cc3)S(=O)(=O)N)=O | | InChi: | InChI=1S/C14H11BrN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20) | | Definition date: | 2000-10-03 | | Last modified: | 2020-09-09 | | Identifier: | 4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide |
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