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

Systemtic Name: 5-propyl-2-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one Openeye Name: 5-propyl-2-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one CAS Name: 5-propyl-2-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one IUPAC Name: 5-propyl-2-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one Traditional Name: 5-propyl-2-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-one Formula: C12H12F3N3O MolecularWeight: 271.23839

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=O)N(N1)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCCC1=NC(=O)N(N1)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C12H12F3N3O/c1-2-5-10-16-11(19)18(17-10)9-7-4-3-6-8(9)12(13,14)15/h3-4,6-7H,2,5H2,1H3,(H,16,17,19)