1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-difluorophenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide

SpectraBase Compound ID	Lxw2PfA5CH3
InChI	InChI=1S/C16H13F2N11O2S/c1-28-7-21-24-16(28)32-6-11-12(22-27-29(11)14-13(19)25-31-26-14)15(30)23-20-5-8-2-3-9(17)4-10(8)18/h2-5,7H,6H2,1H3,(H2,19,25)(H,23,30)/b20-5+
InChIKey	IQTVJDOSLMETSQ-DENHBWNVSA-N Google Search
Mol Weight	461.41 g/mol
Molecular Formula	C16H13F2N11O2S
Exact Mass	461.094246 g/mol

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SpectraBase Spectrum ID	Aofegkqg4lY
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-difluorophenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
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/C16H13F2N11O2S/c1-28-7-21-24-16(28)32-6-11-12(22-27-29(11)14-13(19)25-31-26-14)15(30)23-20-5-8-2-3-9(17)4-10(8)18/h2-5,7H,6H2,1H3,(H2,19,25)(H,23,30)/b20-5+
InChIKey	IQTVJDOSLMETSQ-DENHBWNVSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28396
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: D81452; Labnumber: NIG2-1846; SBI_ID: SBI-028400
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(2,4-difluorophenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C