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Isothiazle-4-carbonitrile, 3-chloro-5-[4-[(3-trifluoromethylphenyl)thiomethyl]phenyl]-
SpectraBase Compound ID EvImi97gHwM
InChI InChI=1S/C18H10ClF3N2S2/c19-17-15(9-23)16(26-24-17)12-6-4-11(5-7-12)10-25-14-3-1-2-13(8-14)18(20,21)22/h1-8H,10H2
InChIKey JEIBKOUNSIRURO-UHFFFAOYSA-N
Mol Weight 410.86 g/mol
Molecular Formula C18H10ClF3N2S2
Exact Mass 409.992603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3byFZseXqU
Name Isothiazle-4-carbonitrile, 3-chloro-5-[4-[(3-trifluoromethylphenyl)thiomethyl]phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H10ClF3N2S2
InChI InChI=1S/C18H10ClF3N2S2/c19-17-15(9-23)16(26-24-17)12-6-4-11(5-7-12)10-25-14-3-1-2-13(8-14)18(20,21)22/h1-8H,10H2
InChIKey JEIBKOUNSIRURO-UHFFFAOYSA-N
Molecular Weight 410.860 g/mol
SMILES c1(c(snc1Cl)-c1ccc(CSc2cc(C(F)(F)F)ccc2)cc1)C#N
SPLASH splash10-001i-4690100000-8840ce50f0ed5b6bb0a9
Source of Spectrum AD-0-2532-0
Synonyms 3-Chloranyl-5-[4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1,2-thiazole-4-carbonitrile 3-Chloro-5-[4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1,2-thiazole-4-carbonitrile 3-Chloro-5-[4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]isothiazole-4-carbonitrile 3-Chloro-5-[4-[[[3-(trifluoromethyl)phenyl]thio]methyl]phenyl]-4-isothiazolecarbonitrile 3-Chloro-5-[4-[[[3-(trifluoromethyl)phenyl]thio]methyl]phenyl]isothiazole-4-carbonitrile
Wiley ID 1428152