2-chloranyl-5-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid Formula: C17H13ClN4O3S MolecularWeight: 388.82812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H13ClN4O3S/c18-14-7-6-11(8-13(14)16(24)25)20-15(23)9-26-17-19-10-22(21-17)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,20,23)(H,24,25)