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

SpectraBase Compound ID	5R7RDXTnbmc
InChI	InChI=1S/C20H17FN8O2S/c1-12-6-8-14(9-7-12)32-11-16-17(24-28-29(16)19-18(22)26-31-27-19)20(30)25-23-10-13-4-2-3-5-15(13)21/h2-10H,11H2,1H3,(H2,22,26)(H,25,30)/b23-10+
InChIKey	WCIORIVGVVFHCA-AUEPDCJTSA-N Google Search
Mol Weight	452.47 g/mol
Molecular Formula	C20H17FN8O2S
Exact Mass	452.117921 g/mol

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SpectraBase Spectrum ID	LjcHwahsWuj
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-fluorophenyl)methylidene]-5-{[(4-methylphenyl)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/C20H17FN8O2S/c1-12-6-8-14(9-7-12)32-11-16-17(24-28-29(16)19-18(22)26-31-27-19)20(30)25-23-10-13-4-2-3-5-15(13)21/h2-10H,11H2,1H3,(H2,22,26)(H,25,30)/b23-10+
InChIKey	WCIORIVGVVFHCA-AUEPDCJTSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28089
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: D80334; Labnumber: NIG2-2313; SBI_ID: SBI-028093
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(2-fluorophenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C