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

Systemtic Name: 3-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N4O3S/c1-22-16(12-6-3-2-4-7-12)20-21-18(22)26-11-15(23)19-14-9-5-8-13(10-14)17(24)25/h2-10H,11H2,1H3,(H,19,23)(H,24,25)