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1-(2-p-Chlorobenzylidine)hydrazinyl-4-cyano-5,6,7,8-tetrahydroiso quinoline-3-sulfanylacetone
SpectraBase Compound ID H5MsweF1g6e
InChI InChI=1S/C20H19ClN4OS/c1-13(26)12-27-20-18(10-22)16-4-2-3-5-17(16)19(24-20)25-23-11-14-6-8-15(21)9-7-14/h6-9,11H,2-5,12H2,1H3,(H,24,25)/b23-11+
InChIKey OHLFCDFAKIYTFF-FOKLQQMPSA-N
Mol Weight 398.91 g/mol
Molecular Formula C20H19ClN4OS
Exact Mass 398.09681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nA5K0M71Kl
Name 1-(2-p-Chlorobenzylidine)hydrazinyl-4-cyano-5,6,7,8-tetrahydroiso quinoline-3-sulfanylacetone
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Formula C20H19ClN4OS
InChI InChI=1S/C20H19ClN4OS/c1-13(26)12-27-20-18(10-22)16-4-2-3-5-17(16)19(24-20)25-23-11-14-6-8-15(21)9-7-14/h6-9,11H,2-5,12H2,1H3,(H,24,25)/b23-11+
InChIKey OHLFCDFAKIYTFF-FOKLQQMPSA-N
Molecular Weight 398.912 g/mol
SMILES N(\N=C\c1ccc(cc1)Cl)c1c2c(c(c(n1)SCC(=O)C)C#N)CCCC2
SPLASH splash10-00kb-0059200000-1f86da8795f14cca12d0
Source of Spectrum F2-46-575-15d
Synonyms 1-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(2-oxopropylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 1-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(2-oxopropylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 3-Acetonylsulfanyl-1-[(2E)-2-[(4-chlorophenyl)methylene]hydrazino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 1-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-(2-oxidanylidenepropylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Wiley ID 1690126