2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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