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N-(2-(2-Amino-4-cyano-5-phenylthiophen-3-yl)-4'-methyl-[4,5'-bithiazol]-2'-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 9geCMG40vYP
InChI InChI=1S/C25H19N5O2S4/c1-14-8-10-17(11-9-14)36(31,32)30-25-28-15(2)21(35-25)19-13-33-24(29-19)20-18(12-26)22(34-23(20)27)16-6-4-3-5-7-16/h3-11,13H,27H2,1-2H3,(H,28,30)
InChIKey VMGXNKYRKFYJCD-UHFFFAOYSA-N
Mol Weight 549.7 g/mol
Molecular Formula C25H19N5O2S4
Exact Mass 549.04216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48734SrxMkx
Name N-(2-(2-Amino-4-cyano-5-phenylthiophen-3-yl)-4'-methyl-[4,5'-bithiazol]-2'-yl)-4-methylbenzenesulfonamide
Appearance Pale brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19N5O2S4
InChI InChI=1S/C25H19N5O2S4/c1-14-8-10-17(11-9-14)36(31,32)30-25-28-15(2)21(35-25)19-13-33-24(29-19)20-18(12-26)22(34-23(20)27)16-6-4-3-5-7-16/h3-11,13H,27H2,1-2H3,(H,28,30)
InChIKey VMGXNKYRKFYJCD-UHFFFAOYSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3995
Molecular Weight 549.700 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1nc(c(-c2csc(-c3c(sc(c3C#N)-c3ccccc3)N)n2)s1)C
SPLASH splash10-00b9-5392430000-5126d560d93f1ca4e0ae
Source of Spectrum Y-57-2872-16a
Wiley ID 1860247