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

Systemtic Name: methyl 2-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4S/c1-28-18(26)15-9-5-6-10-16(15)21-17(25)13-29-20-23-22-19(27)24(20)12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,25)(H,22,27)