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1-(3,5-bis-trifluoromethyl-benzenesulfonyl)-5-methylsulfanyl-3-thiophen-2-yl-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID zDMpz13IlD
InChI InChI=1S/C17H9F6N3O2S3/c1-29-15-12(8-24)14(13-3-2-4-30-13)25-26(15)31(27,28)11-6-9(16(18,19)20)5-10(7-11)17(21,22)23/h2-7H,1H3
InChIKey DASROBHTEPYPHV-UHFFFAOYSA-N
Mol Weight 497.45 g/mol
Molecular Formula C17H9F6N3O2S3
Exact Mass 496.976109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhnXy7CmRBC
Name 1-(3,5-bis-trifluoromethyl-benzenesulfonyl)-5-methylsulfanyl-3-thiophen-2-yl-1H-pyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H9F6N3O2S3
InChI InChI=1S/C17H9F6N3O2S3/c1-29-15-12(8-24)14(13-3-2-4-30-13)25-26(15)31(27,28)11-6-9(16(18,19)20)5-10(7-11)17(21,22)23/h2-7H,1H3
InChIKey DASROBHTEPYPHV-UHFFFAOYSA-N
Molecular Weight 497.448 g/mol
SMILES CSc1[n](S(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(=O)=O)nc(-c2sccc2)c1C#N
SPLASH splash10-00dl-7950000000-9a07af8b03e7efc5f8e9
Synonyms 1-{[3,5-bis(trifluoromethyl)phenyl]sulfonyl}-5-(methylsulfanyl)-3-(2-thienyl)-1H-pyrazole-4-carbonitrile 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-5-(methylthio)-3-thiophen-2-yl-4-pyrazolecarbonitrile 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-5-methylsulfanyl-3-thiophen-2-ylpyrazole-4-carbonitrile 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-5-methylsulfanyl-3-(2-thienyl)pyrazole-4-carbonitrile 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-5-methylsulfanyl-3-thiophen-2-yl-pyrazole-4-carbonitrile
Wiley ID 1446547