2-methyl-4-(phenylmethylsulfanyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-methyl-4-(phenylmethylsulfanyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one Openeye Name: 4-benzylsulfanyl-2-methyl-5-(trifluoromethyl)-1H-pyrimidin-6-one CAS Name: 2-methyl-4-(phenylmethylthio)-5-(trifluoromethyl)-1H-pyrimidin-6-one IUPAC Name: 4-benzylsulfanyl-2-methyl-5-(trifluoromethyl)-1H-pyrimidin-6-one Traditional Name: 4-(benzylthio)-2-methyl-5-(trifluoromethyl)-1H-pyrimidin-6-one Formula: C13H11F3N2OS MolecularWeight: 300.29945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1)C(F)(F)F)SCC2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(C(=O)N1)C(F)(F)F)SCC2=CC=CC=C2

InChI

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