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1-Methyl-3-methylthio-6-(4-methylphenyl)-1H-s-triazolo[4,3-b]-s-triazole
SpectraBase Compound ID J7An6XBGCPt
InChI InChI=1S/C12H13N5S/c1-8-4-6-9(7-5-8)10-13-11-16(2)15-12(18-3)17(11)14-10/h4-7H,1-3H3
InChIKey PQBGSDDKJCYWJI-UHFFFAOYSA-N
Mol Weight 259.33 g/mol
Molecular Formula C12H13N5S
Exact Mass 259.089167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qQiGzVAOm
Name 1-Methyl-3-methylthio-6-(4-methylphenyl)-1H-s-triazolo[4,3-b]-s-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N5S
InChI InChI=1S/C12H13N5S/c1-8-4-6-9(7-5-8)10-13-11-16(2)15-12(18-3)17(11)14-10/h4-7H,1-3H3
InChIKey PQBGSDDKJCYWJI-UHFFFAOYSA-N
Molecular Weight 259.331 g/mol
SMILES c12[n](nc(n2)-c2ccc(cc2)C)C(=NN1C)SC
SPLASH splash10-066r-1940000000-446cbb0fea407ff5dd87
Source of Spectrum SO-0-417-5
Synonyms 1-Methyl-6-(4-methylphenyl)-3-(methylsulfanyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazole Methyl 1-methyl-6-(4-methylphenyl)-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl sulfide
Wiley ID 1537913