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2-Cyano-3-[6-(2-cyano-2-phenylthiocarbamoyl-acetyl)-pyridin-2-yl]-3-oxo-N-phenyl-thiopropionamide
SpectraBase Compound ID 5wWMkbcHWDL
InChI InChI=1S/C25H17N5O2S2/c26-14-18(24(33)28-16-8-3-1-4-9-16)22(31)20-12-7-13-21(30-20)23(32)19(15-27)25(34)29-17-10-5-2-6-11-17/h1-13,18-19H,(H,28,33)(H,29,34)
InChIKey DMIOLVUERLOKJS-UHFFFAOYSA-N
Mol Weight 483.56 g/mol
Molecular Formula C25H17N5O2S2
Exact Mass 483.082367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4CIEQghbtK
Name 2-Cyano-3-[6-(2-cyano-2-phenylthiocarbamoyl-acetyl)-pyridin-2-yl]-3-oxo-N-phenyl-thiopropionamide
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Formula C25H17N5O2S2
InChI InChI=1S/C25H17N5O2S2/c26-14-18(24(33)28-16-8-3-1-4-9-16)22(31)20-12-7-13-21(30-20)23(32)19(15-27)25(34)29-17-10-5-2-6-11-17/h1-13,18-19H,(H,28,33)(H,29,34)
InChIKey DMIOLVUERLOKJS-UHFFFAOYSA-N
Molecular Weight 483.564 g/mol
SMILES N(C(C(C(c1nc(C(C(C(Nc2ccccc2)=S)C#N)=O)ccc1)=O)C#N)=S)c1ccccc1
SPLASH splash10-08fr-9501100000-debee9c89ad010542789
Source of Spectrum Y-50-1162-3
Synonyms Pyridine-2,6-bis-(2-N-phenyl-3-propanethioamide) 3,3'-(pyridine-2,6-diyl)bis(2-cyano-3-oxo-N-phenylpropanethioamide)
Wiley ID 1736759