3-[(4-Nitrobenzyl)sulfanyl]-4H-1,2,4-triazole

SpectraBase Compound ID	D5XhoZ9dfso
InChI	InChI=1S/C9H8N4O2S/c14-13(15)8-3-1-7(2-4-8)5-16-9-10-6-11-12-9/h1-4,6H,5H2,(H,10,11,12)
InChIKey	GAPVDAUIUSONCC-UHFFFAOYSA-N Google Search
Mol Weight	236.25 g/mol
Molecular Formula	C9H8N4O2S
Exact Mass	236.036797 g/mol

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SpectraBase Spectrum ID	B2xaoa5kusi
Name	3-[(4-Nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Alternate Name(s)	1,2,4-Triazole, 3-(4-nitrobenzylthio)- 5-[(4-nitrobenzyl)thio]-1H-1,2,4-triazole 5-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole 5-[(4-nitrophenyl)methylthio]-1H-1,2,4-triazole
CAS Registry Number	296272-93-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C9H8N4O2S
InChI	InChI=1S/C9H8N4O2S/c14-13(15)8-3-1-7(2-4-8)5-16-9-10-6-11-12-9/h1-4,6H,5H2,(H,10,11,12)
InChIKey	GAPVDAUIUSONCC-UHFFFAOYSA-N
Molecular Weight	236.249 g/mol
SMILES	[nH]1c(nnc1)SCc1ccc(cc1)N(=O)=O
SPLASH	splash10-000i-9470000000-a5a2fa409d43fc9ce668
Source of Spectrum	AD-0-2532-0
Wiley ID	1420016