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

Systemtic Name: tert-butyl 3-(4-methylphenyl)-5-phenyl-1,2,4-triazole-1-carboxylate Openeye Name: tert-butyl 5-phenyl-3-(p-tolyl)-1,2,4-triazole-1-carboxylate CAS Name: 3-(4-methylphenyl)-5-phenyl-1,2,4-triazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-methylphenyl)-5-phenyl-1,2,4-triazole-1-carboxylate Traditional Name: 5-phenyl-3-(p-tolyl)-1,2,4-triazole-1-carboxylic acid tert-butyl ester Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H21N3O2/c1-14-10-12-15(13-11-14)17-21-18(16-8-6-5-7-9-16)23(22-17)19(24)25-20(2,3)4/h5-13H,1-4H3