4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)benzoic acid

Systemtic Name: 4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)benzoic acid Openeye Name: 4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)benzoic acid CAS Name: 4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)benzoic acid IUPAC Name: 4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)benzoic acid Traditional Name: 4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)benzoic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

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