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

Systemtic Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[[3-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-6-one Formula: C12H9F3N2OS MolecularWeight: 286.27287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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