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3-(methylthio)-5-oxo-6-cyano-4,5-dihydro-1,2,4-triazine
SpectraBase Compound ID GaLZ8nHEunr
InChI InChI=1S/C5H4N4OS/c1-11-5-7-4(10)3(2-6)8-9-5/h1H3,(H,7,9,10)
InChIKey RFMKSHXVDYIJLZ-UHFFFAOYSA-N
Mol Weight 168.17 g/mol
Molecular Formula C5H4N4OS
Exact Mass 168.010582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jao8mlnQOd1
Name 3-(methylthio)-5-oxo-6-cyano-4,5-dihydro-1,2,4-triazine
CAS Registry Number 96259-46-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4N4OS
InChI InChI=1S/C5H4N4OS/c1-11-5-7-4(10)3(2-6)8-9-5/h1H3,(H,7,9,10)
InChIKey RFMKSHXVDYIJLZ-UHFFFAOYSA-N
Molecular Weight 168.174 g/mol
SMILES N1C(=NN=C(C1=O)C#N)SC
SPLASH splash10-014j-9100000000-4f14f9b37f63f7c7483a
Source of Spectrum J-50-2298-13
Synonyms 3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazine-6-carbonitrile 3-(methylthio)-5-oxo-2H-1,2,4-triazine-6-carbonitrile 3-Methylsulfanyl-5-oxo-2H-1,2,4-triazine-6-carbonitrile 3-Methylsulfanyl-5-oxidanylidene-2H-1,2,4-triazine-6-carbonitrile
Wiley ID 1163885