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

Systemtic Name: 3-[2-[[5-[[(4-chlorophenyl)carbonylamino]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[[5-[[[(4-chlorophenyl)-oxomethyl]amino]methyl]-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C19H16ClN5O4S MolecularWeight: 445.87944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O4S/c20-13-6-4-11(5-7-13)17(27)21-9-15-23-19(25-24-15)30-10-16(26)22-14-3-1-2-12(8-14)18(28)29/h1-8H,9-10H2,(H,21,27)(H,22,26)(H,28,29)(H,23,24,25)