5-(4-methylphenyl)-1-phenyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-(4-methylphenyl)-1-phenyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-phenyl-5-(p-tolyl)triazole-4-carboxylic acid CAS Name: 5-(4-methylphenyl)-1-phenyl-4-triazolecarboxylic acid IUPAC Name: 5-(4-methylphenyl)-1-phenyltriazole-4-carboxylic acid Traditional Name: 1-phenyl-5-(p-tolyl)triazole-4-carboxylic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC=C3)C(=O)O

InChI

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