2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-methyl-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one Formula: C13H9ClF4N2OS MolecularWeight: 352.734973

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1SCC2=C(C=CC=C2Cl)F)C(F)(F)F

Isomeric SMILES

CN1C(=O)C=C(N=C1SCC2=C(C=CC=C2Cl)F)C(F)(F)F

InChI

InChI=1S/C13H9ClF4N2OS/c1-20-11(21)5-10(13(16,17)18)19-12(20)22-6-7-8(14)3-2-4-9(7)15/h2-5H,6H2,1H3