2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C12H7ClF4N2OS MolecularWeight: 338.708393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7ClF4N2OS/c13-7-2-1-3-8(14)6(7)5-21-11-18-9(12(15,16)17)4-10(20)19-11/h1-4H,5H2,(H,18,19,20)