[(Z)-N-(4,5-diphenyl-4,5-dihydro-1,2,3-triazol-1-yl)-C-phenyl-carbonimidoyl] benzoate

Systemtic Name: [(Z)-N-(4,5-diphenyl-4,5-dihydro-1,2,3-triazol-1-yl)-C-phenyl-carbonimidoyl] benzoate Openeye Name: [(Z)-N-(4,5-diphenyl-4,5-dihydrotriazol-1-yl)-C-phenyl-carbonimidoyl] benzoate CAS Name: benzoic acid [(Z)-(4,5-diphenyl-4,5-dihydrotriazol-1-yl)imino-phenylmethyl] ester IUPAC Name: [(Z)-N-(4,5-diphenyl-4,5-dihydrotriazol-1-yl)-C-phenylcarbonimidoyl] benzoate Traditional Name: benzoic acid [(Z)-N-(4,5-diphenyl-4,5-dihydrotriazol-1-yl)-C-phenyl-carbonimidoyl] ester Formula: C28H22N4O2 MolecularWeight: 446.49988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(N(N=N2)N=C(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2C(N(N=N2)/N=C(/C3=CC=CC=C3)\OC(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H22N4O2/c33-28(24-19-11-4-12-20-24)34-27(23-17-9-3-10-18-23)30-32-26(22-15-7-2-8-16-22)25(29-31-32)21-13-5-1-6-14-21/h1-20,25-26H/b30-27-