2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-4-one Openeye Name: 2-thioxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-4-one CAS Name: 2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-4-one Traditional Name: 2-thioxo-5-[3-(trifluoromethyl)benzyl]-1H-pyrimidin-4-one Formula: C12H9F3N2OS MolecularWeight: 286.27287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CC2=CNC(=S)NC2=O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CC2=CNC(=S)NC2=O

InChI

InChI=1S/C12H9F3N2OS/c13-12(14,15)9-3-1-2-7(5-9)4-8-6-16-11(19)17-10(8)18/h1-3,5-6H,4H2,(H2,16,17,18,19)