methyl 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate

Systemtic Name: methyl 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: methyl 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate CAS Name: 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Traditional Name: 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C17H12F3N3O2 MolecularWeight: 347.29129

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3N3O2/c1-25-16(24)14-21-15(11-6-3-2-4-7-11)23(22-14)13-9-5-8-12(10-13)17(18,19)20/h2-10H,1H3