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6-cyano-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-5-sulfanyl acetone
SpectraBase Compound ID ItuYUsmY4gv
InChI InChI=1S/C14H14N4OS/c1-9(19)7-20-14-12(6-15)10-4-2-3-5-11(10)13-17-16-8-18(13)14/h8H,2-5,7H2,1H3
InChIKey DDMNECXMYMKJNV-UHFFFAOYSA-N
Mol Weight 286.35 g/mol
Molecular Formula C14H14N4OS
Exact Mass 286.088832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvOhjgBVwOa
Name 6-cyano-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-5-sulfanyl acetone
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Formula C14H14N4OS
InChI InChI=1S/C14H14N4OS/c1-9(19)7-20-14-12(6-15)10-4-2-3-5-11(10)13-17-16-8-18(13)14/h8H,2-5,7H2,1H3
InChIKey DDMNECXMYMKJNV-UHFFFAOYSA-N
Molecular Weight 286.353 g/mol
SMILES C=1([n]2c(C3=C(C1C#N)CCCC3)nnc2)SCC(=O)C
SPLASH splash10-000i-0090000000-14a1f91d7a08e0bc3c67
Source of Spectrum F2-46-574-12d
Synonyms 5-(2-oxopropylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile 5-(2-oxopropylsulfanyl)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile 5-Acetonylsulfanyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile 5-(2-oxidanylidenepropylsulfanyl)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile
Wiley ID 1690130