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4-amino-N-(3-cyano-4-(furan-2-yl)-5,6-dimethylpyridin-2-yl)-3-phenyl-2-thioxo-2,3-dihydrothiazole-5-carboxamide
SpectraBase Compound ID LXptNEVJw77
InChI InChI=1S/C22H17N5O2S2/c1-12-13(2)25-20(15(11-23)17(12)16-9-6-10-29-16)26-21(28)18-19(24)27(22(30)31-18)14-7-4-3-5-8-14/h3-10H,24H2,1-2H3,(H,25,26,28)
InChIKey FWYWRUKXZKEVIY-UHFFFAOYSA-N
Mol Weight 447.53 g/mol
Molecular Formula C22H17N5O2S2
Exact Mass 447.082367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICETIy5tXOn
Name 4-amino-N-(3-cyano-4-(furan-2-yl)-5,6-dimethylpyridin-2-yl)-3-phenyl-2-thioxo-2,3-dihydrothiazole-5-carboxamide
Appearance Gray crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17N5O2S2
InChI InChI=1S/C22H17N5O2S2/c1-12-13(2)25-20(15(11-23)17(12)16-9-6-10-29-16)26-21(28)18-19(24)27(22(30)31-18)14-7-4-3-5-8-14/h3-10H,24H2,1-2H3,(H,25,26,28)
InChIKey FWYWRUKXZKEVIY-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2414
Molecular Weight 447.531 g/mol
SMILES N(c1nc(c(c(c1C#N)-c1ccco1)C)C)C(C1=C(N(C(S1)=S)c1ccccc1)N)=O
SPLASH splash10-05ai-4931100000-d3ea68235d978565e636
Source of Spectrum Y-53-1248-22
Wiley ID 1876535