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((E)-2-((E)-4-(2-(1H-benzo[d]imidazol-2-yl)hydrazono)-5-oxo-3-phenyl thiazolidin-2-ylidene)-2-cyano-N-(naphthalen-1-yl)acetamide)
SpectraBase Compound ID JRELQ1amp1V
InChI InChI=1S/C29H19N7O2S/c30-17-21(26(37)31-22-16-8-10-18-9-4-5-13-20(18)22)27-36(19-11-2-1-3-12-19)25(28(38)39-27)34-35-29-32-23-14-6-7-15-24(23)33-29/h1-16H,(H,31,37)(H2,32,33,35)/b27-21+,34-25+
InChIKey BEFDXOMVBKZNCE-RHLXRDTJSA-N
Mol Weight 529.58 g/mol
Molecular Formula C29H19N7O2S
Exact Mass 529.132094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5P9grWr8T9l
Name ((E)-2-((E)-4-(2-(1H-benzo[d]imidazol-2-yl)hydrazono)-5-oxo-3-phenyl thiazolidin-2-ylidene)-2-cyano-N-(naphthalen-1-yl)acetamide)
Appearance Yellow crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H19N7O2S
InChI InChI=1S/C29H19N7O2S/c30-17-21(26(37)31-22-16-8-10-18-9-4-5-13-20(18)22)27-36(19-11-2-1-3-12-19)25(28(38)39-27)34-35-29-32-23-14-6-7-15-24(23)33-29/h1-16H,(H,31,37)(H2,32,33,35)/b27-21+,34-25+
InChIKey BEFDXOMVBKZNCE-RHLXRDTJSA-N
Instrument Name GCMS-QP1000 EX or JEOL JMS600
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2669
Molecular Weight 529.578 g/mol
SMILES N(c1c2ccccc2ccc1)C(\C(=C\1SC(\C(=N/Nc2nc3c(cccc3)[nH]2)N1c1ccccc1)=O)C#N)=O
SPLASH splash10-004i-9202010000-3e47459d0243d7eb3464
Source of Spectrum Y-54-1021-7
Wiley ID 1878027