(4-cyanophenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (4-cyanobenzyl) ester Formula: C23H16N4O2 MolecularWeight: 380.39874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H16N4O2/c24-15-17-11-13-18(14-12-17)16-29-23(28)21-25-22(19-7-3-1-4-8-19)27(26-21)20-9-5-2-6-10-20/h1-14H,16H2