2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C13H8ClF3N2O2S MolecularWeight: 348.72803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC(=O)C=C(N2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC(=O)C=C(N2)C(F)(F)F)Cl

InChI

InChI=1S/C13H8ClF3N2O2S/c14-8-3-1-7(2-4-8)9(20)6-22-12-18-10(13(15,16)17)5-11(21)19-12/h1-5H,6H2,(H,18,19,21)