4-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one

Systemtic Name: 4-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one Openeye Name: 4-[(5,5-dimethyl-4H-isoxazol-3-yl)sulfanylmethyl]-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one CAS Name: 4-[[(5,5-dimethyl-4H-isoxazol-3-yl)thio]methyl]-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one IUPAC Name: 4-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one Traditional Name: 4-[[(5,5-dimethyl-2-isoxazolin-3-yl)thio]methyl]-1-methyl-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C11H14F3N3O2S MolecularWeight: 309.30797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NO1)SCC2=C(N(NC2=O)C)C(F)(F)F)C

Isomeric SMILES

CC1(CC(=NO1)SCC2=C(N(NC2=O)C)C(F)(F)F)C

InChI

InChI=1S/C11H14F3N3O2S/c1-10(2)4-7(16-19-10)20-5-6-8(11(12,13)14)17(3)15-9(6)18/h4-5H2,1-3H3,(H,15,18)