phenyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: phenyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: phenyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid phenyl ester IUPAC Name: phenyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid phenyl ester Formula: C21H15N3O2 MolecularWeight: 341.3627

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O2/c25-21(26-18-14-8-3-9-15-18)19-22-20(16-10-4-1-5-11-16)24(23-19)17-12-6-2-7-13-17/h1-15H