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2-(Ethylsulfanyl)-7-(d3-methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one
SpectraBase Compound ID HscpcjclJBg
InChI InChI=1S/C7H8N4OS3/c1-3-14-7-10-11-5(12)8-4(13-2)9-6(11)15-7/h3H2,1-2H3/i2D3
InChIKey XKQUUQGNFYDLNQ-BMSJAHLVSA-N
Mol Weight 263.37 g/mol
Molecular Formula C7H5D3N4OS3
Exact Mass 263.004855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKWodgFtYvx
Name 2-(Ethylsulfanyl)-7-(d3-methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one
CAS Registry Number 66181-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5D3N4OS3
InChI InChI=1S/C7H8N4OS3/c1-3-14-7-10-11-5(12)8-4(13-2)9-6(11)15-7/h3H2,1-2H3/i2D3
InChIKey XKQUUQGNFYDLNQ-BMSJAHLVSA-N
Molecular Weight 263.366 g/mol
SMILES C1(N2N=C(SC2=NC(=N1)SC([D])([D])[D])SCC)=O
SPLASH splash10-03di-1390000000-18d2f7112bb97a44deab
Source of Spectrum O-24-382-11a
Synonyms 2-(ethylthio)-7-(d3-methylthio)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one 2-Ethylsulfanyl-7-D3-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one 2-Ethylthio-7-D3-methylthio-1,3,4-thiadiazolo(3,2-a)(1,3,5)triazine-5-one
Wiley ID 1263040