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

Systemtic Name: 3-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O3S/c22-15(19-13-6-4-5-12(9-13)16(23)24)10-25-17-18-11-21(20-17)14-7-2-1-3-8-14/h1-9,11H,10H2,(H,19,22)(H,23,24)