2-(phenylmethylsulfanyl)-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-(phenylmethylsulfanyl)-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-(phenylmethylthio)-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C12H9F3N2OS MolecularWeight: 286.27287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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