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

Systemtic Name: phenyl 4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: phenyl 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid phenyl ester IUPAC Name: phenyl 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid phenyl ester Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC3=CC=CC=C3

InChI

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