[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C24H17N5O3 MolecularWeight: 423.42348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H17N5O3/c25-15-17-11-13-19(14-12-17)26-21(30)16-32-24(31)22-27-23(18-7-3-1-4-8-18)29(28-22)20-9-5-2-6-10-20/h1-14H,16H2,(H,26,30)