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

Systemtic Name: 5-butyl-2-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one Openeye Name: 5-butyl-2-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one CAS Name: 5-butyl-2-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one IUPAC Name: 5-butyl-2-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one Traditional Name: 5-butyl-2-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one Formula: C13H14F3N3O MolecularWeight: 285.26497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)N(N1)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCCCC1=NC(=O)N(N1)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C13H14F3N3O/c1-2-3-8-11-17-12(20)19(18-11)10-7-5-4-6-9(10)13(14,15)16/h4-7H,2-3,8H2,1H3,(H,17,18,20)