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acetamide, 2-[[4-cyano-3-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]-5-isothiazolyl]thio]-N-(2-pyridinyl)-
SpectraBase Compound ID KCy2Z3iSasM
InChI InChI=1S/C18H14N6O2S3/c19-9-12-17(27-10-15(25)22-13-5-1-3-7-20-13)24-29-18(12)28-11-16(26)23-14-6-2-4-8-21-14/h1-8H,10-11H2,(H,20,22,25)(H,21,23,26)
InChIKey JFZHRHYYAPVODP-UHFFFAOYSA-N
Mol Weight 442.53 g/mol
Molecular Formula C18H14N6O2S3
Exact Mass 442.034037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFUL7d9JQWv
Name 2-[4-cyano-3-[2-oxo-2-(2-pyridylamino)ethyl]sulfanyl-isothiazol-5-yl]sulfanyl-N-(2-pyridyl)acetamide
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Formula C18H14N6O2S3
InChI InChI=1S/C18H14N6O2S3/c19-9-12-17(27-10-15(25)22-13-5-1-3-7-20-13)24-29-18(12)28-11-16(26)23-14-6-2-4-8-21-14/h1-8H,10-11H2,(H,20,22,25)(H,21,23,26)
InChIKey JFZHRHYYAPVODP-UHFFFAOYSA-N
Molecular Weight 442.530 g/mol
SMILES N(C(CSc1c(c(SCC(Nc2ncccc2)=O)sn1)C#N)=O)c1ncccc1
SPLASH splash10-00kf-9200000000-3a69e48225f612e98408
Synonyms 2-[[4-cyano-3-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-pyridin-2-yl-ethanamide 2-[[4-cyano-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-pyridin-2-ylacetamide 2-[[4-cyano-3-[[2-keto-2-(2-pyridylamino)ethyl]thio]isothiazol-5-yl]thio]-N-(2-pyridyl)acetamide 2-[[4-cyano-3-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]-5-isothiazolyl]thio]-N-(2-pyridinyl)acetamide
Wiley ID 1459385