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2-Cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-2-[(4-methoxyphenyl)hydrazono]acetamide
SpectraBase Compound ID 2ze9XP3wYUc
InChI InChI=1S/C21H20N6O5S/c1-13-14(2)26-32-21(13)27-33(29,30)18-10-6-15(7-11-18)23-20(28)19(12-22)25-24-16-4-8-17(31-3)9-5-16/h4-11,24,27H,1-3H3,(H,23,28)/b25-19+
InChIKey QLCKNGOPDMRJFA-NCELDCMTSA-N
Mol Weight 468.49 g/mol
Molecular Formula C21H20N6O5S
Exact Mass 468.121589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3w500rXWfMm
Name 2-Cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-2-[(4-methoxyphenyl)hydrazono]acetamide
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Formula C21H20N6O5S
InChI InChI=1S/C21H20N6O5S/c1-13-14(2)26-32-21(13)27-33(29,30)18-10-6-15(7-11-18)23-20(28)19(12-22)25-24-16-4-8-17(31-3)9-5-16/h4-11,24,27H,1-3H3,(H,23,28)/b25-19+
InChIKey QLCKNGOPDMRJFA-NCELDCMTSA-N
Molecular Weight 468.488 g/mol
SMILES N(c1c(c(C)no1)C)S(c1ccc(NC(\C(=N\Nc2ccc(cc2)OC)C#N)=O)cc1)(=O)=O
SPLASH splash10-03di-1901000000-a804c1e0acfdee8f62de
Source of Spectrum EMC-84-502-9c
Synonyms (E)-2-((4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)amino)-N'-(4-methoxyphenyl)-2-oxoacetohydrazonoyl cyanide
Wiley ID 1740166