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N-(2-benzoyl-4-chloro-phenyl)-2-[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]acetamide
SpectraBase Compound ID KDAUCJOjFgb
InChI InChI=1S/C20H13ClF3N3O3S/c21-12-6-7-14(13(8-12)18(30)11-4-2-1-3-5-11)25-17(29)10-31-19-26-15(20(22,23)24)9-16(28)27-19/h1-9H,10H2,(H,25,29)(H,26,27,28)
InChIKey LKFNYHOMRRNDGZ-UHFFFAOYSA-N
Mol Weight 467.85 g/mol
Molecular Formula C20H13ClF3N3O3S
Exact Mass 467.031825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YWQ1lvVNBU
Name N-(2-benzoyl-4-chloro-phenyl)-2-[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]acetamide
Alternate Name(s) N-(2-benzoyl-4-chloro-phenyl)-2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide N-(2-benzoyl-4-chlorophenyl)-2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]acetamide N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide
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Formula C20H13ClF3N3O3S
InChI InChI=1S/C20H13ClF3N3O3S/c21-12-6-7-14(13(8-12)18(30)11-4-2-1-3-5-11)25-17(29)10-31-19-26-15(20(22,23)24)9-16(28)27-19/h1-9H,10H2,(H,25,29)(H,26,27,28)
InChIKey LKFNYHOMRRNDGZ-UHFFFAOYSA-N
Molecular Weight 467.850 g/mol
SMILES N(c1c(C(=O)c2ccccc2)cc(cc1)Cl)C(CSc1nc(cc(n1)C(F)(F)F)O)=O
SPLASH splash10-001i-4690000000-7185072515ab650d92ae
Wiley ID 1460189