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N-(2-(2-Amino-5-(4-chlorophenyl)-4-cyanothiophen-3-yl)-4'-methyl-[4,5'-bithia-zol]-2'-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID JY5iMx9n3BE
InChI InChI=1S/C25H18ClN5O2S4/c1-13-3-9-17(10-4-13)37(32,33)31-25-29-14(2)21(36-25)19-12-34-24(30-19)20-18(11-27)22(35-23(20)28)15-5-7-16(26)8-6-15/h3-10,12H,28H2,1-2H3,(H,29,31)
InChIKey CHYFDGTXMJIXOF-UHFFFAOYSA-N
Mol Weight 584.1 g/mol
Molecular Formula C25H18ClN5O2S4
Exact Mass 583.003187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3lykGQSFX0
Name N-(2-(2-Amino-5-(4-chlorophenyl)-4-cyanothiophen-3-yl)-4'-methyl-[4,5'-bithia-zol]-2'-yl)-4-methylbenzenesulfonamide
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18ClN5O2S4
InChI InChI=1S/C25H18ClN5O2S4/c1-13-3-9-17(10-4-13)37(32,33)31-25-29-14(2)21(36-25)19-12-34-24(30-19)20-18(11-27)22(35-23(20)28)15-5-7-16(26)8-6-15/h3-10,12H,28H2,1-2H3,(H,29,31)
InChIKey CHYFDGTXMJIXOF-UHFFFAOYSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3995
Molecular Weight 584.145 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1nc(c(-c2csc(-c3c(sc(c3C#N)-c3ccc(cc3)Cl)N)n2)s1)C
SPLASH splash10-0230-1294740000-67dde43029bedf909ee1
Source of Spectrum Y-57-2873-16d
Wiley ID 1860250