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

Systemtic Name: (2,6-dimethylphenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: (2,6-dimethylphenyl) 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 (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 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 (2,6-dimethylphenyl) ester Formula: C18H16FN3O2 MolecularWeight: 325.336943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O2/c1-11-5-4-6-12(2)16(11)24-18(23)17-20-13(3)22(21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3