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

SpectraBase Compound ID	5fSevf859jT
InChI	InChI=1S/C20H15ClN8O4S/c21-12-2-4-13(5-3-12)34-9-14-17(24-28-29(14)19-18(22)26-33-27-19)20(30)25-23-8-11-1-6-15-16(7-11)32-10-31-15/h1-8H,9-10H2,(H2,22,26)(H,25,30)/b23-8+
InChIKey	IZOYFTIHOFHQMO-LIMNOBDPSA-N Google Search
Mol Weight	498.91 g/mol
Molecular Formula	C20H15ClN8O4S
Exact Mass	498.06255 g/mol

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SpectraBase Spectrum ID	7gIklsihZZ
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-{[(4-chlorophenyl)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/C20H15ClN8O4S/c21-12-2-4-13(5-3-12)34-9-14-17(24-28-29(14)19-18(22)26-33-27-19)20(30)25-23-8-11-1-6-15-16(7-11)32-10-31-15/h1-8H,9-10H2,(H2,22,26)(H,25,30)/b23-8+
InChIKey	IZOYFTIHOFHQMO-LIMNOBDPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28027
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: D80117; Labnumber: NIG2-1212; SBI_ID: SBI-028031
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1,3-benzodioxol-5-ylmethylidene]-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C