2-[[2-(4-methylphenyl)-5-naphthalen-2-ylcarbonyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[2-(4-methylphenyl)-5-naphthalen-2-ylcarbonyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(naphthalene-2-carbonyl)-2-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[2-(4-methylphenyl)-5-[2-naphthalenyl(oxo)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[2-(4-methylphenyl)-5-(naphthalene-2-carbonyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2-naphthoyl)-2-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)C3=CC4=CC=CC=C4C=C3)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)C3=CC4=CC=CC=C4C=C3)SCC(=O)O

InChI

InChI=1S/C22H17N3O3S/c1-14-6-10-18(11-7-14)25-22(29-13-19(26)27)23-21(24-25)20(28)17-9-8-15-4-2-3-5-16(15)12-17/h2-12H,13H2,1H3,(H,26,27)