[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C18H16N4O3S/c1-26-16-4-2-3-14(9-16)21-17(23)10-25-18(24)13-5-7-15(8-6-13)22-12-19-11-20-22/h2-9,11-12H,10H2,1H3,(H,21,23)