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

SpectraBase Compound ID	D3cJkz19GyM
InChI	InChI=1S/C20H22N8O2S/c1-13-7-9-15(10-8-13)31-12-16-17(23-27-28(16)19-18(21)25-30-26-19)20(29)24-22-11-14-5-3-2-4-6-14/h2-3,7-11,14H,4-6,12H2,1H3,(H2,21,25)(H,24,29)/b22-11+
InChIKey	YTPILWYEXPDZFM-SSDVNMTOSA-N Google Search
Mol Weight	438.51 g/mol
Molecular Formula	C20H22N8O2S
Exact Mass	438.158643 g/mol

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SpectraBase Spectrum ID	52acNCZbJqb
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-3-cyclohexen-1-ylmethylidene]-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/C20H22N8O2S/c1-13-7-9-15(10-8-13)31-12-16-17(23-27-28(16)19-18(21)25-30-26-19)20(29)24-22-11-14-5-3-2-4-6-14/h2-3,7-11,14H,4-6,12H2,1H3,(H2,21,25)(H,24,29)/b22-11+
InChIKey	YTPILWYEXPDZFM-SSDVNMTOSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28131
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: D80460; Labnumber: NIG2-2971; SBI_ID: SBI-028135
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[3-cyclohexen-1-ylmethylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature	308 °C