For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Cyano-2-carbethoxy-3,4-di-[N-benzoyl-thiosemicarbazide]thieno[2,3-b]thiophene
SpectraBase Compound ID JA03X10zC6h
InChI InChI=1S/C26H21N7O4S4/c1-2-37-23(36)20-19(29-26(39)33-31-22(35)15-11-7-4-8-12-15)17-18(16(13-27)40-24(17)41-20)28-25(38)32-30-21(34)14-9-5-3-6-10-14/h3-12H,2H2,1H3,(H,30,34)(H,31,35)(H2,28,32,38)(H2,29,33,39)
InChIKey ZRQFOWJAOXFSNZ-UHFFFAOYSA-N
Mol Weight 623.7 g/mol
Molecular Formula C26H21N7O4S4
Exact Mass 623.053787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID F0sT1TWn3po
Name 5-Cyano-2-carbethoxy-3,4-di-[N-benzoyl-thiosemicarbazide]thieno[2,3-b]thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21N7O4S4
InChI InChI=1S/C26H21N7O4S4/c1-2-37-23(36)20-19(29-26(39)33-31-22(35)15-11-7-4-8-12-15)17-18(16(13-27)40-24(17)41-20)28-25(38)32-30-21(34)14-9-5-3-6-10-14/h3-12H,2H2,1H3,(H,30,34)(H,31,35)(H2,28,32,38)(H2,29,33,39)
InChIKey ZRQFOWJAOXFSNZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201500107
Molecular Weight 623.739 g/mol
SMILES N(c1c2c(c(sc2sc1C#N)C(=O)OCC)NC(NNC(c1ccccc1)=O)=S)C(=S)NNC(c1ccccc1)=O
SPLASH splash10-0a4i-3910000000-83d8f841d0aa898ddda0
Source of Spectrum QA-62-998-15
Synonyms Ethyl 3,4-bis(2-benzoylhydrazine-1-carbothioamido)-5-cyanothieno[2,3-b]thiophene-2-carboxylate
Wiley ID 1796603