5-phenylsulfanyl-2,6-bis(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 5-phenylsulfanyl-2,6-bis(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 5-phenylsulfanyl-2,6-bis(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 5-(phenylthio)-2,6-bis(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 5-phenylsulfanyl-2,6-bis(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 5-(phenylthio)-2,6-bis(trifluoromethyl)-1H-pyrimidin-4-one Formula: C12H6F6N2OS MolecularWeight: 340.244259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC(=NC2=O)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC(=NC2=O)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H6F6N2OS/c13-11(14,15)8-7(22-6-4-2-1-3-5-6)9(21)20-10(19-8)12(16,17)18/h1-5H,(H,19,20,21)