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

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-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-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-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-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C23H16BrFN4O3 MolecularWeight: 495.300543

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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=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C23H16BrFN4O3/c24-16-11-12-19(18(25)13-16)26-20(30)14-32-23(31)21-27-22(15-7-3-1-4-8-15)29(28-21)17-9-5-2-6-10-17/h1-13H,14H2,(H,26,30)