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(E)-2-((E)-4-(2-p-tolylhydrazono)-5-oxo-3-phenylthiazolidin-2-ylidene)-2-cyano-N-(3-cyano-4-(furan-2-yl)-5,6-dimethylpyridin-2-yl)acetamide
SpectraBase Compound ID EqjKDOdfcCh
InChI InChI=1S/C31H23N7O3S/c1-18-11-13-21(14-12-18)36-37-28-31(40)42-30(38(28)22-8-5-4-6-9-22)24(17-33)29(39)35-27-23(16-32)26(19(2)20(3)34-27)25-10-7-15-41-25/h4-15,28H,1-3H3,(H,34,35,39)/b30-24+,37-36+
InChIKey HQUCMFSWPQTHKP-XTECLIEESA-N
Mol Weight 573.63 g/mol
Molecular Formula C31H23N7O3S
Exact Mass 573.158309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoGVBtDvEb0
Name (E)-2-((E)-4-(2-p-tolylhydrazono)-5-oxo-3-phenylthiazolidin-2-ylidene)-2-cyano-N-(3-cyano-4-(furan-2-yl)-5,6-dimethylpyridin-2-yl)acetamide
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H23N7O3S
InChI InChI=1S/C31H23N7O3S/c1-18-11-13-21(14-12-18)36-37-28-31(40)42-30(38(28)22-8-5-4-6-9-22)24(17-33)29(39)35-27-23(16-32)26(19(2)20(3)34-27)25-10-7-15-41-25/h4-15,28H,1-3H3,(H,34,35,39)/b30-24+,37-36+
InChIKey HQUCMFSWPQTHKP-XTECLIEESA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2414
Molecular Weight 573.631 g/mol
SMILES N(c1c(c(c(c(n1)C)C)-c1ccco1)C#N)C(\C(C#N)=C/1N(C(C(S1)=O)\N=N\c1ccc(cc1)C)c1ccccc1)=O
SPLASH splash10-016r-6119210000-bd1a90a6a4065c7ad939
Source of Spectrum Y-53-1248-14
Wiley ID 1876531