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2-[(2-ketocyclohexyl)methylthio]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID BLEi1P3xEyx
InChI InChI=1S/C18H15F3N2OS2/c19-18(20,21)13-8-14(16-6-3-7-25-16)23-17(12(13)9-22)26-10-11-4-1-2-5-15(11)24/h3,6-8,11H,1-2,4-5,10H2
InChIKey UTWVPFCMPGNRJZ-UHFFFAOYSA-N
Mol Weight 396.45 g/mol
Molecular Formula C18H15F3N2OS2
Exact Mass 396.05779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4sO0WedIXI
Name 2-[(2-ketocyclohexyl)methylthio]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile
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Formula C18H15F3N2OS2
InChI InChI=1S/C18H15F3N2OS2/c19-18(20,21)13-8-14(16-6-3-7-25-16)23-17(12(13)9-22)26-10-11-4-1-2-5-15(11)24/h3,6-8,11H,1-2,4-5,10H2
InChIKey UTWVPFCMPGNRJZ-UHFFFAOYSA-N
Molecular Weight 396.446 g/mol
SMILES c1(c(C(F)(F)F)cc(nc1SCC1C(=O)CCCC1)-c1sccc1)C#N
SPLASH splash10-0k9f-9122000000-a28e9ebf932fa59f8edc
Synonyms 2-[(2-oxidanylidenecyclohexyl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile 2-[(2-oxocyclohexyl)methylsulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carbonitrile 2-[(2-oxocyclohexyl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile 2-[(2-oxocyclohexyl)methylthio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile
Wiley ID 1446723