(4-bromanyl-2-fluoranyl-phenyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (4-bromo-2-fluorophenyl) ester IUPAC Name: (4-bromo-2-fluorophenyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (4-bromo-2-fluoro-phenyl) ester Formula: C21H13BrFN3O2 MolecularWeight: 438.249223

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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)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrFN3O2/c22-15-11-12-18(17(23)13-15)28-21(27)19-24-20(14-7-3-1-4-8-14)26(25-19)16-9-5-2-6-10-16/h1-13H