(2,3,6-trimethylphenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 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 (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 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 (2,3,6-trimethylphenyl) ester Formula: C19H18FN3O2 MolecularWeight: 339.363523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O2/c1-11-5-6-12(2)17(13(11)3)25-19(24)18-21-14(4)23(22-18)16-9-7-15(20)8-10-16/h5-10H,1-4H3