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

Systemtic Name: 1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxylate Openeye Name: 5-phenyl-1-(p-tolyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxylate IUPAC Name: 1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxylate Traditional Name: 5-phenyl-1-(p-tolyl)-1,2,4-triazole-3-carboxylate Formula: C16H12N3O2- MolecularWeight: 278.28538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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