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

*Links on SpectraBase are not permalinks.
5-(2-(2'-Mercaptoethoxy)-2-phenyl-1-N-phenylthiocarbamoylethenyl)-6-oxo-1,6-dihydropyrazine-2,3-dicarbonitrile
SpectraBase Compound ID GrXw5QxAWbp
InChI InChI=1S/C23H17N5O2S2/c24-13-17-18(14-25)28-22(29)20(27-17)19(23(32)26-16-9-5-2-6-10-16)21(30-11-12-31)15-7-3-1-4-8-15/h1-10,31H,11-12H2,(H,26,32)(H,28,29)
InChIKey AVKYPFOKHLOMDZ-UHFFFAOYSA-N
Mol Weight 459.54 g/mol
Molecular Formula C23H17N5O2S2
Exact Mass 459.082367 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 5zImNidlEUM
Name 5-(2-(2'-Mercaptoethoxy)-2-phenyl-1-N-phenylthiocarbamoylethenyl)-6-oxo-1,6-dihydropyrazine-2,3-dicarbonitrile
Appearance Green powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17N5O2S2
InChI InChI=1S/C23H17N5O2S2/c24-13-17-18(14-25)28-22(29)20(27-17)19(23(32)26-16-9-5-2-6-10-16)21(30-11-12-31)15-7-3-1-4-8-15/h1-10,31H,11-12H2,(H,26,32)(H,28,29)
InChIKey AVKYPFOKHLOMDZ-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3761
Molecular Weight 459.542 g/mol
SMILES N1C(=C(N=C(C(C(Nc2ccccc2)=S)=C(OCCS)c2ccccc2)C1=O)C#N)C#N
SPLASH splash10-0fbd-9311000000-8fb9072726554111acdd
Source of Spectrum Y-57-SM13-3d
Wiley ID 1859983