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2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(2-furyl)-6-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID Ai5wayDJeq1
InChI InChI=1S/C17H12F3N5O3S/c1-9-15(25(26)27)10(2)24(23-9)8-29-16-12(7-21)11(13-4-3-5-28-13)6-14(22-16)17(18,19)20/h3-6H,8H2,1-2H3
InChIKey KWQSZCJGZJVGBV-UHFFFAOYSA-N
Mol Weight 423.37 g/mol
Molecular Formula C17H12F3N5O3S
Exact Mass 423.061295 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8v3Sb4PcsNP
Name 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylthio]-4-(2-furanyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile
Alternate Name(s) 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-4-(2-furyl)-6-(trifluoromethyl)pyridine-3-carbonitrile 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylthio]-4-(2-furyl)-6-(trifluoromethyl)nicotinonitrile
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Formula C17H12F3N5O3S
InChI InChI=1S/C17H12F3N5O3S/c1-9-15(25(26)27)10(2)24(23-9)8-29-16-12(7-21)11(13-4-3-5-28-13)6-14(22-16)17(18,19)20/h3-6H,8H2,1-2H3
InChIKey KWQSZCJGZJVGBV-UHFFFAOYSA-N
Molecular Weight 423.370 g/mol
SMILES C(Sc1c(c(cc(n1)C(F)(F)F)-c1occc1)C#N)[n]1c(c(c(n1)C)N(=O)=O)C
SPLASH splash10-0uei-5950000000-2f453fd78a010bd63fe6
Wiley ID 1444338