2-[(4-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-(p-tolylmethylsulfanyl)-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-[(4-methylphenyl)methylthio]-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(4-methylbenzyl)thio]-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C13H11F3N2OS MolecularWeight: 300.29945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C13H11F3N2OS/c1-8-2-4-9(5-3-8)7-20-12-17-10(13(14,15)16)6-11(19)18-12/h2-6H,7H2,1H3,(H,17,18,19)