3-[1-(4-methylphenyl)-1,2,4-triazol-3-yl]benzoic acid

Systemtic Name: 3-[1-(4-methylphenyl)-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[1-(p-tolyl)-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[1-(4-methylphenyl)-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[1-(4-methylphenyl)-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-[1-(p-tolyl)-1,2,4-triazol-3-yl]benzoic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O2/c1-11-5-7-14(8-6-11)19-10-17-15(18-19)12-3-2-4-13(9-12)16(20)21/h2-10H,1H3,(H,20,21)