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

Systemtic Name: 5-butyl-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one Openeye Name: 5-butyl-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one CAS Name: 5-butyl-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one IUPAC Name: 5-butyl-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one Traditional Name: 5-butyl-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one Formula: C14H16F3N3O MolecularWeight: 299.29155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1C)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCCCC1=NN(C(=O)N1C)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H16F3N3O/c1-3-4-9-12-18-20(13(21)19(12)2)11-8-6-5-7-10(11)14(15,16)17/h5-8H,3-4,9H2,1-2H3