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

Systemtic Name: methyl 2-[2-[[5-[[(4-chlorophenyl)carbonylamino]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[5-[[[(4-chlorophenyl)-oxomethyl]amino]methyl]-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H18ClN5O4S MolecularWeight: 459.90602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN5O4S/c1-30-19(29)14-4-2-3-5-15(14)23-17(27)11-31-20-24-16(25-26-20)10-22-18(28)12-6-8-13(21)9-7-12/h2-9H,10-11H2,1H3,(H,22,28)(H,23,27)(H,24,25,26)