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6-Cyano-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-5-sulfanyl acetophenone
SpectraBase Compound ID GEqwIQVyqTd
InChI InChI=1S/C19H16N4OS/c20-10-16-14-8-4-5-9-15(14)18-22-21-12-23(18)19(16)25-11-17(24)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-9,11H2
InChIKey YKPDUXPKXWZKOB-UHFFFAOYSA-N
Mol Weight 348.42 g/mol
Molecular Formula C19H16N4OS
Exact Mass 348.104482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sTwtz6nMWD
Name 6-Cyano-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a]isoquinoline-5-sulfanyl acetophenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N4OS
InChI InChI=1S/C19H16N4OS/c20-10-16-14-8-4-5-9-15(14)18-22-21-12-23(18)19(16)25-11-17(24)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-9,11H2
InChIKey YKPDUXPKXWZKOB-UHFFFAOYSA-N
Molecular Weight 348.424 g/mol
SMILES C=1([n]2c(C3=C(C1C#N)CCCC3)nnc2)SCC(=O)c1ccccc1
SPLASH splash10-0002-9002000000-7f15c33eda4c1326532a
Source of Spectrum F2-46-574-12e
Synonyms 5-(Phenacylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile 5-Phenacylsulfanyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile
Wiley ID 1690129