(2-bromanyl-4-cyano-6-ethoxy-phenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C19H14BrFN4O3 MolecularWeight: 445.241863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H14BrFN4O3/c1-3-27-16-9-12(10-22)8-15(20)17(16)28-19(26)18-23-11(2)25(24-18)14-6-4-13(21)5-7-14/h4-9H,3H2,1-2H3