1-methyl-3-nitro-5-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}-1H-1,2,4-triazole

SpectraBase Compound ID	DdwwrfneQ7r
InChI	InChI=1S/C12H9N7O4S/c1-17-12(15-10(16-17)19(22)23)24-11-13-6-9(14-11)7-2-4-8(5-3-7)18(20)21/h2-6H,1H3,(H,13,14)
InChIKey	ITCDGBQRIIVYMK-UHFFFAOYSA-N Google Search
Mol Weight	347.31 g/mol
Molecular Formula	C12H9N7O4S
Exact Mass	347.043673 g/mol

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SpectraBase Spectrum ID	63y25SgEWj7
Name	1-methyl-3-nitro-5-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}-1H-1,2,4-triazole
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C12H9N7O4S/c1-17-12(15-10(16-17)19(22)23)24-11-13-6-9(14-11)7-2-4-8(5-3-7)18(20)21/h2-6H,1H3,(H,13,14)
InChIKey	ITCDGBQRIIVYMK-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_22124
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D58660; Labnumber: SPLUK-1016; SBI_ID: SBI-022128
Synonyms	1-methyl-3-nitro-1H-1,2,4-triazol-5-yl 4-(4-nitrophenyl)-1H-imidazol-2-yl sulfide
Temperature	315 °C