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Isothiazole-4-carbonitrile, 3-chloro-5-[4-[(4-chlorophenyl)thiomethyl]phenyl]-
SpectraBase Compound ID JdUHGCLreZz
InChI InChI=1S/C17H10Cl2N2S2/c18-13-5-7-14(8-6-13)22-10-11-1-3-12(4-2-11)16-15(9-20)17(19)21-23-16/h1-8H,10H2
InChIKey SHIKCSNPLYOBLM-UHFFFAOYSA-N
Mol Weight 377.31 g/mol
Molecular Formula C17H10Cl2N2S2
Exact Mass 375.966246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9iLrqhBMtJt
Name Isothiazole-4-carbonitrile, 3-chloro-5-[4-[(4-chlorophenyl)thiomethyl]phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10Cl2N2S2
InChI InChI=1S/C17H10Cl2N2S2/c18-13-5-7-14(8-6-13)22-10-11-1-3-12(4-2-11)16-15(9-20)17(19)21-23-16/h1-8H,10H2
InChIKey SHIKCSNPLYOBLM-UHFFFAOYSA-N
Molecular Weight 377.307 g/mol
SMILES c1(c(snc1Cl)-c1ccc(CSc2ccc(cc2)Cl)cc1)C#N
SPLASH splash10-001i-3592000000-507362813cf790313794
Source of Spectrum AD-0-2532-0
Synonyms 3-Chloranyl-5-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-1,2-thiazole-4-carbonitrile 3-Chloro-5-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-1,2-thiazole-4-carbonitrile 3-Chloro-5-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]isothiazole-4-carbonitrile 3-Chloro-5-[4-[[(4-chlorophenyl)thio]methyl]phenyl]-4-isothiazolecarbonitrile 3-Chloro-5-[4-[[(4-chlorophenyl)thio]methyl]phenyl]isothiazole-4-carbonitrile
Wiley ID 1428153