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

Systemtic Name: (4-bromophenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: (4-bromophenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (4-bromobenzyl) ester Formula: C22H16BrN3O2 MolecularWeight: 434.28534

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3O2/c23-18-13-11-16(12-14-18)15-28-22(27)20-24-21(17-7-3-1-4-8-17)26(25-20)19-9-5-2-6-10-19/h1-14H,15H2