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

SpectraBase Compound ID	5cns3Nylsmv
InChI	InChI=1S/C11H10ClN5S/c1-16-11(18-2)17-10(15-16)13-9(14-17)7-3-5-8(12)6-4-7/h3-6H,1-2H3
InChIKey	WRWHOFSFDUWYQT-UHFFFAOYSA-N Google Search
Mol Weight	279.75 g/mol
Molecular Formula	C11H10ClN5S
Exact Mass	279.034544 g/mol

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SpectraBase Spectrum ID	9eQg1YFaEIU
Name	1H-1,2,4-Triazolo[4,3-b][1,2,4]triazolium, 6-(4-chlorophenyl)-2-methyl-3-(methylthio)-, hydroxide, inner salt
CAS Registry Number	96906-95-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C11H10ClN5S
InChI	InChI=1S/C11H10ClN5S/c1-16-11(18-2)17-10(15-16)13-9(14-17)7-3-5-8(12)6-4-7/h3-6H,1-2H3
InChIKey	WRWHOFSFDUWYQT-UHFFFAOYSA-N
Molecular Weight	279.749 g/mol
SMILES	c12[n+]([n-]c(n2)-c2ccc(cc2)Cl)c([n](n1)C)SC
SPLASH	splash10-00di-9540000000-1badb5ae46dee2d5bbbf
Source of Spectrum	AJ-58-741-8
Synonyms	2-Methyl-6-(4-chlorophenyl)-3-methylthio-7H-1,2,4-triazolo[4,3-b][1,2,4]triazolium hydroxide 6-(4-Chlorophenyl)-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	1282732