methyl 4-[[2-[(3-oxidanylidene-2-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(3-oxidanylidene-2-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(3-oxo-2-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[(3-oxo-2-phenyl-1H-1,2,4-triazol-5-yl)thio]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(3-oxo-2-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(3-keto-2-phenyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC(=O)N(N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC(=O)N(N2)C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O4S/c1-27-17(25)14-9-7-13(8-10-14)11-20-16(24)12-28-18-21-19(26)23(22-18)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,20,24)(H,21,22,26)