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acetamide, N-(2-benzoyl-4-chlorophenyl)-2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]-
SpectraBase Compound ID AN6zz2xhDxg
InChI InChI=1S/C28H17ClF3N3O2S/c29-19-11-12-23(20(13-19)26(37)18-9-5-2-6-10-18)34-25(36)16-38-27-21(15-33)22(28(30,31)32)14-24(35-27)17-7-3-1-4-8-17/h1-14H,16H2,(H,34,36)
InChIKey XIQQWIRAAORZND-UHFFFAOYSA-N
Mol Weight 551.97 g/mol
Molecular Formula C28H17ClF3N3O2S
Exact Mass 551.06821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IpG3sgI2uD
Name N-(2-benzoyl-4-chloro-phenyl)-2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide
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Formula C28H17ClF3N3O2S
InChI InChI=1S/C28H17ClF3N3O2S/c29-19-11-12-23(20(13-19)26(37)18-9-5-2-6-10-18)34-25(36)16-38-27-21(15-33)22(28(30,31)32)14-24(35-27)17-7-3-1-4-8-17/h1-14H,16H2,(H,34,36)
InChIKey XIQQWIRAAORZND-UHFFFAOYSA-N
Molecular Weight 551.971 g/mol
SMILES N(c1c(C(=O)c2ccccc2)cc(cc1)Cl)C(CSc1c(c(C(F)(F)F)cc(n1)-c1ccccc1)C#N)=O
SPLASH splash10-001i-2491000000-102ddfc6367f697c9ec7
Synonyms N-(2-benzoyl-4-chloro-phenyl)-2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]thio]acetamide N-(2-benzoyl-4-chlorophenyl)-2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetamide N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide
Wiley ID 1462179