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N-(2-(2-Amino-4-cyano-5-(p-tolyl)thiophen-3-yl)-4'-methyl-[4,5'-bithiazol]-2'-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 62VP1dPrhCb
InChI InChI=1S/C26H21N5O2S4/c1-14-4-8-17(9-5-14)23-19(12-27)21(24(28)35-23)25-30-20(13-34-25)22-16(3)29-26(36-22)31-37(32,33)18-10-6-15(2)7-11-18/h4-11,13H,28H2,1-3H3,(H,29,31)
InChIKey KQGSMWYYOLAEEO-UHFFFAOYSA-N
Mol Weight 563.7 g/mol
Molecular Formula C26H21N5O2S4
Exact Mass 563.05781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87wrSkrRgVk
Name N-(2-(2-Amino-4-cyano-5-(p-tolyl)thiophen-3-yl)-4'-methyl-[4,5'-bithiazol]-2'-yl)-4-methylbenzenesulfonamide
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21N5O2S4
InChI InChI=1S/C26H21N5O2S4/c1-14-4-8-17(9-5-14)23-19(12-27)21(24(28)35-23)25-30-20(13-34-25)22-16(3)29-26(36-22)31-37(32,33)18-10-6-15(2)7-11-18/h4-11,13H,28H2,1-3H3,(H,29,31)
InChIKey KQGSMWYYOLAEEO-UHFFFAOYSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3995
Molecular Weight 563.727 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1nc(c(-c2csc(-c3c(sc(c3C#N)-c3ccc(cc3)C)N)n2)s1)C
SPLASH splash10-03dj-3980640000-a078e2aed1b61275a18e
Source of Spectrum Y-57-2872-16b
Wiley ID 1860248