6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-(trifluoromethyl)-2-[[3-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-4-one Formula: C13H8F6N2OS MolecularWeight: 354.270839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8F6N2OS/c14-12(15,16)8-3-1-2-7(4-8)6-23-11-20-9(13(17,18)19)5-10(22)21-11/h1-5H,6H2,(H,20,21,22)