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3-(methylthio)-6-phenyl-5H-imidazo[4,5-e]-1,2,4-triazine
SpectraBase Compound ID 8bgMhYqSx9Y
InChI InChI=1S/C11H9N5S/c1-17-11-14-9-10(15-16-11)13-8(12-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,12,13,14,15,16)
InChIKey CZQDGKNJHUGDSI-UHFFFAOYSA-N
Mol Weight 243.29 g/mol
Molecular Formula C11H9N5S
Exact Mass 243.057866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84IPWmtulKL
Name 3-(methylthio)-6-phenyl-5H-imidazo[4,5-e]-1,2,4-triazine
CAS Registry Number 96259-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9N5S
InChI InChI=1S/C11H9N5S/c1-17-11-14-9-10(15-16-11)13-8(12-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,12,13,14,15,16)
InChIKey CZQDGKNJHUGDSI-UHFFFAOYSA-N
Molecular Weight 243.288 g/mol
SMILES [nH]1c2c(nc1-c1ccccc1)nnc(n2)SC
SPLASH splash10-0fr6-6970000000-dd754681b377afa75eac
Source of Spectrum J-50-2297-8
Synonyms 3-(methylsulfanyl)-6-phenyl-5H-imidazo[4,5-e][1,2,4]triazine Methyl 6-phenyl-5H-imidazo[4,5-e][1,2,4]triazin-3-yl sulfide
Wiley ID 1245876