ethyl 3-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 3-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-[[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]methyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C19H18N6O3S2 MolecularWeight: 442.51462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C19H18N6O3S2/c1-3-28-18(27)16-15(14(8-20)17(21)30-16)9-29-19-24-22-10-25(19)13-6-4-5-12(7-13)23-11(2)26/h4-7,10H,3,9,21H2,1-2H3,(H,23,26)