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

SpectraBase Compound ID	6vUmcmN6136
InChI	InChI=1S/C22H20N8O4S/c1-12-3-6-15(7-4-12)35-10-16-19(25-29-30(16)21-20(23)27-34-28-21)22(31)26-24-13(2)14-5-8-17-18(9-14)33-11-32-17/h3-9H,10-11H2,1-2H3,(H2,23,27)(H,26,31)/b24-13+
InChIKey	KXOXWRWBJPTEIK-ZMOGYAJESA-N Google Search
Mol Weight	492.51 g/mol
Molecular Formula	C22H20N8O4S
Exact Mass	492.132822 g/mol

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SpectraBase Spectrum ID	8yoULB9g8cd
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1-(1,3-benzodioxol-5-yl)ethylidene]-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/C22H20N8O4S/c1-12-3-6-15(7-4-12)35-10-16-19(25-29-30(16)21-20(23)27-34-28-21)22(31)26-24-13(2)14-5-8-17-18(9-14)33-11-32-17/h3-9H,10-11H2,1-2H3,(H2,23,27)(H,26,31)/b24-13+
InChIKey	KXOXWRWBJPTEIK-ZMOGYAJESA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_13122
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: D79992; Labnumber: NIG2-0469; SBI_ID: SBI-013125
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1-(1,3-benzodioxol-5-yl)ethylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature	315 °C