(3-methylphenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (3-methylphenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: m-tolyl 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 (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 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 m-tolyl ester Formula: C17H14FN3O2 MolecularWeight: 311.310363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H14FN3O2/c1-11-4-3-5-15(10-11)23-17(22)16-19-12(2)21(20-16)14-8-6-13(18)7-9-14/h3-10H,1-2H3