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

Systemtic Name: 3-(4-butyl-2-methyl-phenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Openeye Name: 3-(4-butyl-2-methyl-phenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole CAS Name: 3-(4-butyl-2-methylphenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole IUPAC Name: 3-(4-butyl-2-methylphenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Traditional Name: 3-(4-butyl-2-methyl-phenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Formula: C21H22F3N3 MolecularWeight: 373.41469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C2=NN=C(N2C)C3=CC=CC=C3C(F)(F)F)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C2=NN=C(N2C)C3=CC=CC=C3C(F)(F)F)C

InChI

InChI=1S/C21H22F3N3/c1-4-5-8-15-11-12-16(14(2)13-15)19-25-26-20(27(19)3)17-9-6-7-10-18(17)21(22,23)24/h6-7,9-13H,4-5,8H2,1-3H3