(2-chloranyl-4-cyano-phenyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: (2-chloro-4-cyano-phenyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (2-chloro-4-cyano-phenyl) ester Formula: C22H13ClN4O2 MolecularWeight: 400.81722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OC4=C(C=C(C=C4)C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OC4=C(C=C(C=C4)C#N)Cl

InChI

InChI=1S/C22H13ClN4O2/c23-18-13-15(14-24)11-12-19(18)29-22(28)20-25-21(16-7-3-1-4-8-16)27(26-20)17-9-5-2-6-10-17/h1-13H