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N-(2-(2-(4-Chlorophenyl)-1-cyanovinyl)-4'-methyl-[4,5'-bithiazol]-2'-yl)-4-methyl-benzenesulfonamide
SpectraBase Compound ID DXzeBOGA1MX
InChI InChI=1S/C23H17ClN4O2S3/c1-14-3-9-19(10-4-14)33(29,30)28-23-26-15(2)21(32-23)20-13-31-22(27-20)17(12-25)11-16-5-7-18(24)8-6-16/h3-11,13H,1-2H3,(H,26,28)
InChIKey CJUCGCCIMTYPEX-UHFFFAOYSA-N
Mol Weight 513.05 g/mol
Molecular Formula C23H17ClN4O2S3
Exact Mass 512.020217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ByxxCYJcRD
Name N-(2-(2-(4-Chlorophenyl)-1-cyanovinyl)-4'-methyl-[4,5'-bithiazol]-2'-yl)-4-methyl-benzenesulfonamide
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17ClN4O2S3
InChI InChI=1S/C23H17ClN4O2S3/c1-14-3-9-19(10-4-14)33(29,30)28-23-26-15(2)21(32-23)20-13-31-22(27-20)17(12-25)11-16-5-7-18(24)8-6-16/h3-11,13H,1-2H3,(H,26,28)
InChIKey CJUCGCCIMTYPEX-UHFFFAOYSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3995
Molecular Weight 513.048 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1sc(c(n1)C)-c1nc(sc1)C(=Cc1ccc(cc1)Cl)C#N
SPLASH splash10-03y0-4950520000-6e8030f32585611e7f2b
Source of Spectrum Y-57-2868-3d
Wiley ID 1860255