 | | USL | | Name: | 3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline | | Formula: | C23 H24 F N3 O9 | | SMILES: | O=C(O)C1=CN(C2CC2)c2cc(c(F)cc2C1=O)N1CCN(C=C1)C1OC(C(O)C(O)C1O)C(=O)O | | InChi: | InChI=1S/C23H24FN3O9/c24-13-7-11-14(27(10-1-2-10)9-12(16(11)28)22(32)33)8-15(13)25-3-5-26(6-4-25)21-19(31)17(29)18(30)20(36-21)23(34)35/h3,5,7-10,17-21,29-31H,1-2,4,6H2,(H,32,33)(H,34,35)/t17-,18-,19+,20-,21+/m0/s1 | | Definition date: | 2022-08-24 | | Last modified: | 2023-06-16 | | Release date: | 2023-06-21 | | Identifier: | 3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline |
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 | | WPT | | Name: | 3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid | | Formula: | C22 H21 N O3 | | SMILES: | O=C(O)CCc1ccc(cc1)NCc1cc(Oc2ccccc2)ccc1 | | InChi: | InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25) | | Definition date: | 2022-10-11 | | Last modified: | 2023-06-16 | | Release date: | 2023-06-21 | | Identifier: | 3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid |
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 | | WXL | | Name: | [(~{Z})-4-[2-azanyl-7-[(5-chloranyl-1~{H}-indol-2-yl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]but-2-enyl]phosphonic acid | | Formula: | C18 H19 Cl N6 O4 P | | SMILES: | O=P(O)(O)CC=C/C[n+]1cn(Cc2cc3cc(Cl)ccc3[NH]2)c2C(=O)NC(N)=Nc21 | | InChi: | InChI=1S/C18H18ClN6O4P/c19-12-3-4-14-11(7-12)8-13(21-14)9-25-10-24(5-1-2-6-30(27,28)29)16-15(25)17(26)23-18(20)22-16/h1-4,7-8,10,21H,5-6,9H2,(H4-,20,22,23,26,27,28,29)/p+1/b2-1- | | Definition date: | 2023-05-22 | | Last modified: | 2023-06-16 | | Release date: | 2023-06-21 | | Identifier: | 2-amino-7-[(5-chloro-1H-indol-2-yl)methyl]-6-oxo-9-[(2Z)-4-phosphonobut-2-en-1-yl]-6,7-dihydro-1H-purin-9-ium |
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 | | YHZ | | Name: | 1-[(4-aminopyrimidin-5-yl)amino]-2,5-anhydro-1-deoxy-6-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]-D-allitol | | Formula: | C11 H21 N4 O12 P3 | | SMILES: | O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC1OC(CNc2cncnc2N)C(O)C1O | | InChi: | InChI=1S/C11H21N4O12P3/c12-11-6(1-13-4-15-11)14-2-7-9(16)10(17)8(26-7)3-25-30(23,24)27-29(21,22)5-28(18,19)20/h1,4,7-10,14,16-17H,2-3,5H2,(H,21,22)(H,23,24)(H2,12,13,15)(H2,18,19,20)/t7-,8+,9-,10+/m0/s1 | | Definition date: | 2023-02-03 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 1-[(4-aminopyrimidin-5-yl)amino]-2,5-anhydro-1-deoxy-6-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]-D-allitol |
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 | | YJI | | Name: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide | | Formula: | C13 H27 N2 O8 P S | | SMILES: | O=C(NCCSCCO)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O | | InChi: | InChI=1S/C13H27N2O8PS/c1-13(2,9-23-24(20,21)22)11(18)12(19)15-4-3-10(17)14-5-7-25-8-6-16/h11,16,18H,3-9H2,1-2H3,(H,14,17)(H,15,19)(H2,20,21,22)/t11-/m0/s1 | | Definition date: | 2023-02-08 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide |
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 | | XKB | | Name: | 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl 2-aminoethenoadenosine | | Formula: | C23 H24 N8 O5 | | SMILES: | Nc1nc2n(cnc2c3nccn13)[CH]4O[CH](COC(=O)NCCc5c[nH]c6ccccc56)[CH](O)[CH]4O | | InChi: | InChI=1S/C23H24N8O5/c24-22-29-20-16(19-25-7-8-30(19)22)28-11-31(20)21-18(33)17(32)15(36-21)10-35-23(34)26-6-5-12-9-27-14-4-2-1-3-13(12)14/h1-4,7-9,11,15,17-18,21,27,32-33H,5-6,10H2,(H2,24,29)(H,26,34)/t15-,17-,18-,21-/m1/s1 | | Synonyms: | [(2~{R},3~{S},4~{R},5~{R})-5-(5-azanylimidazo[2,1-f]purin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate | | Definition date: | 2023-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(5-azanylimidazo[2,1-f]purin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate |
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 | | XKF | | Name: | 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl N2-methyl-2-aminoethenoadenosine | | Formula: | C24 H26 N8 O5 | | SMILES: | CNc1nc2n(cnc2c3nccn13)[CH]4O[CH](COC(=O)NCCc5c[nH]c6ccccc56)[CH](O)[CH]4O | | InChi: | InChI=1S/C24H26N8O5/c1-25-23-30-21-17(20-26-8-9-31(20)23)29-12-32(21)22-19(34)18(33)16(37-22)11-36-24(35)27-7-6-13-10-28-15-5-3-2-4-14(13)15/h2-5,8-10,12,16,18-19,22,28,33-34H,6-7,11H2,1H3,(H,25,30)(H,27,35)/t16-,18-,19-,22-/m1/s1 | | Synonyms: | [(2~{R},3~{S},4~{R},5~{R})-5-[5-(methylamino)imidazo[2,1-f]purin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate | | Definition date: | 2023-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[5-(methylamino)imidazo[2,1-f]purin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[2-(1~{H}-indol-3-yl)ethyl]carbamate |
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 | | XKK | | Name: | 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] 2-aminoethenoadenosine | | Formula: | C23 H24 N8 O7 S | | SMILES: | Nc1nc2n(cnc2c3nccn13)[CH]4O[CH](CO[S](=O)(=O)NC(=O)CCc5c[nH]c6ccccc56)[CH](O)[CH]4O | | InChi: | InChI=1S/C23H24N8O7S/c24-23-28-21-17(20-25-7-8-30(20)23)27-11-31(21)22-19(34)18(33)15(38-22)10-37-39(35,36)29-16(32)6-5-12-9-26-14-4-2-1-3-13(12)14/h1-4,7-9,11,15,18-19,22,26,33-34H,5-6,10H2,(H2,24,28)(H,29,32)/t15-,18-,19-,22-/m1/s1 | | Synonyms: | [(2~{R},3~{S},4~{R},5~{R})-5-(5-azanylimidazo[2,1-f]purin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[3-(1~{H}-indol-3-yl)propanoyl]sulfamate | | Definition date: | 2023-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(5-azanylimidazo[2,1-f]purin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[3-(1~{H}-indol-3-yl)propanoyl]sulfamate |
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 | | XKO | | Name: | 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] N2-methyl-2-aminoethenoadenosine | | Formula: | C24 H26 N8 O7 S | | SMILES: | CNc1nc2n(cnc2c3nccn13)[CH]4O[CH](CO[S](=O)(=O)NC(=O)CCc5c[nH]c6ccccc56)[CH](O)[CH]4O | | InChi: | InChI=1S/C24H26N8O7S/c1-25-24-29-22-18(21-26-8-9-31(21)24)28-12-32(22)23-20(35)19(34)16(39-23)11-38-40(36,37)30-17(33)7-6-13-10-27-15-5-3-2-4-14(13)15/h2-5,8-10,12,16,19-20,23,27,34-35H,6-7,11H2,1H3,(H,25,29)(H,30,33)/t16-,19-,20-,23-/m1/s1 | | Synonyms: | [(2~{R},3~{S},4~{R},5~{R})-5-[5-(methylamino)imidazo[2,1-f]purin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[3-(1~{H}-indol-3-yl)propanoyl]sulfamate | | Definition date: | 2023-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[5-(methylamino)imidazo[2,1-f]purin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[3-(1~{H}-indol-3-yl)propanoyl]sulfamate |
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 | | Y6L | | Name: | 4-(2-aminopropan-2-yl)-N'-[4-(cyclopropyloxy)-3-methoxybenzoyl]-6-(4-fluorophenyl)pyridine-2-carbohydrazide | | Formula: | C26 H27 F N4 O4 | | SMILES: | O=C(NNC(=O)c1ccc(OC2CC2)c(OC)c1)c1cc(cc(n1)c1ccc(F)cc1)C(C)(C)N | | InChi: | InChI=1S/C26H27FN4O4/c1-26(2,28)17-13-20(15-4-7-18(27)8-5-15)29-21(14-17)25(33)31-30-24(32)16-6-11-22(23(12-16)34-3)35-19-9-10-19/h4-8,11-14,19H,9-10,28H2,1-3H3,(H,30,32)(H,31,33) | | Definition date: | 2023-01-06 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 4-(2-aminopropan-2-yl)-N'-[4-(cyclopropyloxy)-3-methoxybenzoyl]-6-(4-fluorophenyl)pyridine-2-carbohydrazide |
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 | | YRQ | | Name: | [(2S)-1-hydroxypropan-2-yl]phosphonic acid | | Formula: | C3 H9 O4 P | | SMILES: | CC(CO)P(=O)(O)O | | InChi: | InChI=1S/C3H9O4P/c1-3(2-4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1 | | Definition date: | 2023-02-17 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | [(2S)-1-hydroxypropan-2-yl]phosphonic acid |
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 | | YS8 | | Name: | [(1R)-1-hydroxy-2-methylpropyl]phosphonic acid | | Formula: | C4 H11 O4 P | | SMILES: | CC(C)C(O)P(=O)(O)O | | InChi: | InChI=1S/C4H11O4P/c1-3(2)4(5)9(6,7)8/h3-5H,1-2H3,(H2,6,7,8)/t4-/m1/s1 | | Definition date: | 2023-02-17 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | [(1R)-1-hydroxy-2-methylpropyl]phosphonic acid |
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 | | XV5 | | Name: | (2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one | | Formula: | C15 H10 O5 | | SMILES: | Oc1cc(/C=C2Oc3ccccc3C2=O)c(O)cc1O | | InChi: | InChI=1S/C15H10O5/c16-10-7-12(18)11(17)5-8(10)6-14-15(19)9-3-1-2-4-13(9)20-14/h1-7,16-18H | | Definition date: | 2022-12-13 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one |
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 | | L8T | | Name: | 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid | | Formula: | C18 H21 N O5 S | | SMILES: | O=C(O)C=1CCCC=1C(=O)Nc1sc2CCCCc2c1C(=O)OCC | | InChi: | InChI=1S/C18H21NO5S/c1-2-24-18(23)14-12-6-3-4-9-13(12)25-16(14)19-15(20)10-7-5-8-11(10)17(21)22/h2-9H2,1H3,(H,19,20)(H,21,22) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid |
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 | | IWI | | Name: | 2-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid | | Formula: | C11 H8 Cl N O2 S | | SMILES: | O=C(O)c1csc(Cc2cc(Cl)ccc2)n1 | | InChi: | InChI=1S/C11H8ClNO2S/c12-8-3-1-2-7(4-8)5-10-13-9(6-16-10)11(14)15/h1-4,6H,5H2,(H,14,15) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid |
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 | | IZ7 | | Name: | (4E)-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methylhex-4-enoic acid | | Formula: | C18 H23 N O4 | | SMILES: | O=C(O)CCC(C)=CCc1c(OC)c(C)c(C)c2onc(C)c12 | | InChi: | InChI=1S/C18H23NO4/c1-10(7-9-15(20)21)6-8-14-16-13(4)19-23-18(16)12(3)11(2)17(14)22-5/h6H,7-9H2,1-5H3,(H,20,21)/b10-6+ | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (4E)-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methylhex-4-enoic acid |
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 | | GFS | | Name: | 2-[(2S,3R)-2,3-dihydro[2,3'-bi-1-benzothiophene]-3-carbonyl]benzoic acid | | Formula: | C24 H16 O3 S2 | | SMILES: | O=C(O)c1ccccc1C(=O)C1c2ccccc2SC1c1csc2ccccc21 | | InChi: | InChI=1S/C24H16O3S2/c25-22(15-8-1-2-9-16(15)24(26)27)21-17-10-4-6-12-20(17)29-23(21)18-13-28-19-11-5-3-7-14(18)19/h1-13,21,23H,(H,26,27)/t21-,23-/m1/s1 | | Definition date: | 2023-04-27 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-[(2S,3R)-2,3-dihydro[2,3'-bi-1-benzothiophene]-3-carbonyl]benzoic acid |
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 | | K0U | | Name: | (2R)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid | | Formula: | C11 H11 Cl3 O2 S | | SMILES: | Clc1cc(SC(C(=O)O)C(C)C)c(Cl)cc1Cl | | InChi: | InChI=1S/C11H11Cl3O2S/c1-5(2)10(11(15)16)17-9-4-7(13)6(12)3-8(9)14/h3-5,10H,1-2H3,(H,15,16)/t10-/m1/s1 | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2R)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid |
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 | | M69 | | Name: | (2seqTrans,5S)-5-(4-chlorophenyl)-2-(hydroxymethylidene)cyclohexane-1,3-dione | | Formula: | C13 H11 Cl O3 | | SMILES: | Clc1ccc(cc1)C1CC(=O)/C(=CO)C(=O)C1 | | InChi: | InChI=1S/C13H11ClO3/c14-10-3-1-8(2-4-10)9-5-12(16)11(7-15)13(17)6-9/h1-4,7,9,15H,5-6H2/b11-7-/t9-/m0/s1 | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2seqTrans,5S)-5-(4-chlorophenyl)-2-(hydroxymethylidene)cyclohexane-1,3-dione |
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 | | M8I | | Name: | 3-[1-(4-carbamoylphenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid | | Formula: | C20 H17 F N2 O3 | | SMILES: | NC(=O)c1ccc(cc1)n1c(ccc1CCC(=O)O)c1ccc(F)cc1 | | InChi: | InChI=1S/C20H17FN2O3/c21-15-5-1-13(2-6-15)18-11-9-17(10-12-19(24)25)23(18)16-7-3-14(4-8-16)20(22)26/h1-9,11H,10,12H2,(H2,22,26)(H,24,25) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 3-[1-(4-carbamoylphenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid |
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 | | MF9 | | Name: | (3S)-3-[(4-chlorophenyl)sulfanyl]butanoic acid | | Formula: | C10 H11 Cl O2 S | | SMILES: | Clc1ccc(SC(C)CC(=O)O)cc1 | | InChi: | InChI=1S/C10H11ClO2S/c1-7(6-10(12)13)14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1 | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (3S)-3-[(4-chlorophenyl)sulfanyl]butanoic acid |
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 | | IAH | | Name: | 3-[[(1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]carbonyl]-5-(4-hydroxyphenyl)-4-oxidanyl-1H-pyridin-2-one | | Formula: | C23 H25 N O4 | | SMILES: | C[CH]1C=C[CH]2CCCC[CH]2[CH]1C(=O)C3=C(O)C(=CNC3=O)c4ccc(O)cc4 | | InChi: | InChI=1S/C23H25NO4/c1-13-6-7-14-4-2-3-5-17(14)19(13)22(27)20-21(26)18(12-24-23(20)28)15-8-10-16(25)11-9-15/h6-14,17,19,25H,2-5H2,1H3,(H2,24,26,28)/t13-,14+,17-,19-/m1/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 3-[[(1~{R},2~{R},4~{a}~{S},8~{a}~{R})-2-methyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]carbonyl]-5-(4-hydroxyphenyl)-4-oxidanyl-1~{H}-pyridin-2-one |
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 | | K4I | | Name: | (9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one | | Formula: | C23 H27 F N4 O3 | | SMILES: | CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCC[CH](O)C5=N1 | | InChi: | InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3/t19-/m1/s1 | | Definition date: | 2022-09-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one |
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 | | K7C | | Name: | (5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine | | Formula: | C25 H30 F N5 O | | SMILES: | Fc1ccc(cc1)c1c(c(nc(C2CCCC2)c1C)C1(COC)CCCC1)c1nnn[NH]1 | | InChi: | InChI=1S/C25H30FN5O/c1-16-20(17-9-11-19(26)12-10-17)21(24-28-30-31-29-24)23(25(15-32-2)13-5-6-14-25)27-22(16)18-7-3-4-8-18/h9-12,18H,3-8,13-15H2,1-2H3,(H,28,29,30,31) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine |
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 | | KCV | | Name: | 5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol | | Formula: | C12 H12 Cl N3 O S | | SMILES: | Sc1nnc(COc2ccc(Cl)cc2)n1CC=C | | InChi: | InChI=1S/C12H12ClN3OS/c1-2-7-16-11(14-15-12(16)18)8-17-10-5-3-9(13)4-6-10/h2-6H,1,7-8H2,(H,15,18) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
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