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Isothiazole-4-carbonitrile, 3-chloro-5-[4-[(4-methyl-5-trifluoromethyl-4H-1,2,4-triazol-3-yl)thiomethyl]phenyl]-
SpectraBase Compound ID 2AbZwRV2oYU
InChI InChI=1S/C15H9ClF3N5S2/c1-24-13(15(17,18)19)21-22-14(24)25-7-8-2-4-9(5-3-8)11-10(6-20)12(16)23-26-11/h2-5H,7H2,1H3
InChIKey JNJJITDCEOLRJW-UHFFFAOYSA-N
Mol Weight 415.84 g/mol
Molecular Formula C15H9ClF3N5S2
Exact Mass 414.994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrnAFo9Z4UM
Name Isothiazole-4-carbonitrile, 3-chloro-5-[4-[(4-methyl-5-trifluoromethyl-4H-1,2,4-triazol-3-yl)thiomethyl]phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9ClF3N5S2
InChI InChI=1S/C15H9ClF3N5S2/c1-24-13(15(17,18)19)21-22-14(24)25-7-8-2-4-9(5-3-8)11-10(6-20)12(16)23-26-11/h2-5H,7H2,1H3
InChIKey JNJJITDCEOLRJW-UHFFFAOYSA-N
Molecular Weight 415.840 g/mol
SMILES c1([n](c(SCc2ccc(-c3c(c(Cl)ns3)C#N)cc2)nn1)C)C(F)(F)F
SPLASH splash10-00lr-7691400000-2ab48bba8d886a920821
Source of Spectrum AD-0-2532-0
Synonyms 3-Chloranyl-5-[4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-1,2-thiazole-4-carbonitrile 3-Chloro-5-[4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-1,2-thiazole-4-carbonitrile 3-Chloro-5-[4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]isothiazole-4-carbonitrile 3-Chloro-5-[4-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-4-isothiazolecarbonitrile 3-Chloro-5-[4-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]isothiazole-4-carbonitrile
Wiley ID 1428155