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3,5-Bis[(4-chlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile
SpectraBase Compound ID 9mBv6LifW7P
InChI InChI=1S/C18H12Cl2N2S3/c19-14-5-1-12(2-6-14)10-23-17-16(9-21)18(25-22-17)24-11-13-3-7-15(20)8-4-13/h1-8H,10-11H2
InChIKey LAHIWXAUKRTKCL-UHFFFAOYSA-N
Mol Weight 423.39 g/mol
Molecular Formula C18H12Cl2N2S3
Exact Mass 421.953967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NiWIfzTaz9
Name 3,5-Bis[(4-chlorobenzyl)sulfanyl]-4-isothiazolecarbonitrile
CAS Registry Number 252725-31-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12Cl2N2S3
InChI InChI=1S/C18H12Cl2N2S3/c19-14-5-1-12(2-6-14)10-23-17-16(9-21)18(25-22-17)24-11-13-3-7-15(20)8-4-13/h1-8H,10-11H2
InChIKey LAHIWXAUKRTKCL-UHFFFAOYSA-N
Molecular Weight 423.394 g/mol
SMILES c1(c(snc1SCc1ccc(cc1)Cl)SCc1ccc(Cl)cc1)C#N
SPLASH splash10-004i-4900000000-259440fdbcce15124927
Source of Spectrum AD-0-2532-0
Synonyms 3,5-bis[(4-chlorobenzyl)thio]isothiazole-4-carbonitrile 3,5-bis[(4-chlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile 3,5-bis[(4-chlorophenyl)methylsulfanyl]isothiazole-4-carbonitrile 3,5-bis[(4-chlorophenyl)methylthio]-4-isothiazolecarbonitrile Isothiazole-4-carbonitrile, 3,5-bis(4-chlorobenzylthio)-
Wiley ID 1427351