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3,3'-(methanediyldisulfanediyl)bis(5-phenylisothiazole-4-carbonitrile)
SpectraBase Compound ID KjrBhABAgfo
InChI InChI=1S/C21H12N4S4/c22-11-16-18(14-7-3-1-4-8-14)28-24-20(16)26-13-27-21-17(12-23)19(29-25-21)15-9-5-2-6-10-15/h1-10H,13H2
InChIKey WDYLLDRUHOTUPR-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C21H12N4S4
Exact Mass 447.994481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6kLN8bcpAp
Name 3,3'-(methanediyldisulfanediyl)bis(5-phenylisothiazole-4-carbonitrile)
Alternate Name(s) 3,3'-Methylene-bis[(4-cyano-5-phenylisothiazole)-disulfide] 3,3'-(methylenebis(sulfanediyl))bis(5-phenylisothiazole-4-carbonitrile) 3-[[(4-cyano-5-phenyl-3-isothiazolyl)thio]methylthio]-5-phenyl-4-isothiazolecarbonitrile 3-[(4-cyano-5-phenyl-isothiazol-3-yl)sulfanylmethylsulfanyl]-5-phenyl-isothiazole-4-carbonitrile 3-[(4-cyano-5-phenyl-1,2-thiazol-3-yl)sulfanylmethylsulfanyl]-5-phenyl-1,2-thiazole-4-carbonitrile
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Formula C21H12N4S4
InChI InChI=1S/C21H12N4S4/c22-11-16-18(14-7-3-1-4-8-14)28-24-20(16)26-13-27-21-17(12-23)19(29-25-21)15-9-5-2-6-10-15/h1-10H,13H2
InChIKey WDYLLDRUHOTUPR-UHFFFAOYSA-N
Molecular Weight 448.595 g/mol
SMILES c1(nsc(c1C#N)-c1ccccc1)SCSc1nsc(c1C#N)-c1ccccc1
SPLASH splash10-0089-1970400000-0f1e554a285ab2fe5702
Source of Spectrum F5-4-3690-34
Wiley ID 1733003