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

SpectraBase Compound ID	HESEa6LKdtu
InChI	InChI=1S/C22H22N8O4S/c1-13-4-8-16(9-5-13)35-12-17-19(25-29-30(17)21-20(23)27-34-28-21)22(31)26-24-11-14-6-7-15(32-2)10-18(14)33-3/h4-11H,12H2,1-3H3,(H2,23,27)(H,26,31)/b24-11+
InChIKey	DHDMCPOLNMDFOQ-BHGWPJFGSA-N Google Search
Mol Weight	494.53 g/mol
Molecular Formula	C22H22N8O4S
Exact Mass	494.148472 g/mol

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SpectraBase Spectrum ID	3NGTZBsPzbx
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-dimethoxyphenyl)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/C22H22N8O4S/c1-13-4-8-16(9-5-13)35-12-17-19(25-29-30(17)21-20(23)27-34-28-21)22(31)26-24-11-14-6-7-15(32-2)10-18(14)33-3/h4-11H,12H2,1-3H3,(H2,23,27)(H,26,31)/b24-11+
InChIKey	DHDMCPOLNMDFOQ-BHGWPJFGSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_3675
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: D80058; Labnumber: NIG2-0883; SBI_ID: SBI-003677
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(2,4-dimethoxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C