1H-1,2,4-Triazolo[4,3-b][1,2,4]triazolium, 6-(4-methoxyphenyl)-2-methyl-3-(methylthio)-, hydroxide, inner salt

SpectraBase Compound ID	4fyOQROClMt
InChI	InChI=1S/C12H13N5OS/c1-16-12(19-3)17-11(15-16)13-10(14-17)8-4-6-9(18-2)7-5-8/h4-7H,1-3H3
InChIKey	JEGDYVLAXCQLNW-UHFFFAOYSA-N Google Search
Mol Weight	275.33 g/mol
Molecular Formula	C12H13N5OS
Exact Mass	275.084081 g/mol

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SpectraBase Spectrum ID	60ZYPnJgpcx
Name	1H-1,2,4-Triazolo[4,3-b][1,2,4]triazolium, 6-(4-methoxyphenyl)-2-methyl-3-(methylthio)-, hydroxide, inner salt
CAS Registry Number	96906-96-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H13N5OS
InChI	InChI=1S/C12H13N5OS/c1-16-12(19-3)17-11(15-16)13-10(14-17)8-4-6-9(18-2)7-5-8/h4-7H,1-3H3
InChIKey	JEGDYVLAXCQLNW-UHFFFAOYSA-N
Molecular Weight	275.330 g/mol
SMILES	c12[n+]([n-]c(n2)-c2ccc(cc2)OC)c([n](n1)C)SC
SPLASH	splash10-014i-9360000000-cb29aaf8a6b722250980
Source of Spectrum	AJ-58-741-8
Synonyms	2-Methyl-6-(4-methoxyphenyl)-3-methylthio-7H-1,2,4-triazolo[4,3-b][1,2,4]triazolium hydroxide 6-(4-Methoxyphenyl)-2-methyl-3-(methylsulfanyl)-2H,5H-1,2,5,7,4000000-[1,2,4]triazolo[4,3-a][1,2,4]triazol-4-ylium-5-ide
Wiley ID	1278886