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5-Thioxo-7,8,9,10-tetrahydro-1H[1,2,4]triazolo[3,4-a]isoquinoline-6-carbo nitrile
SpectraBase Compound ID KC0Th9WXzIf
InChI InChI=1S/C11H10N4S/c12-5-9-7-3-1-2-4-8(7)10-14-13-6-15(10)11(9)16/h6,14H,1-4H2
InChIKey CKVBJBVMXJZCDO-UHFFFAOYSA-N
Mol Weight 230.29 g/mol
Molecular Formula C11H10N4S
Exact Mass 230.062618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IX2Af7QQGyi
Name 5-Thioxo-7,8,9,10-tetrahydro-1H[1,2,4]triazolo[3,4-a]isoquinoline-6-carbo nitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10N4S
InChI InChI=1S/C11H10N4S/c12-5-9-7-3-1-2-4-8(7)10-14-13-6-15(10)11(9)16/h6,14H,1-4H2
InChIKey CKVBJBVMXJZCDO-UHFFFAOYSA-N
Molecular Weight 230.289 g/mol
SMILES N1N=CN2C1=C1CCCCC1=C(C2=S)C#N
SPLASH splash10-001i-8920000000-0fa21d4198e91b18f386
Source of Spectrum F2-46-573-5
Synonyms 5-Thioxo-7,8,9,10-tetrahydro-1H-[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile 5-sulfanylidene-7,8,9,10-tetrahydro-1H-[1,2,4]triazolo[3,4-a]isoquinoline-6-carbonitrile
Wiley ID 1690133