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

SpectraBase Compound ID	8sNA4yvflcs
InChI	InChI=1S/C21H27N9O2S/c1-29(15-6-4-3-5-7-15)13-17-18(24-28-30(17)20-19(22)26-32-27-20)21(31)25-23-12-14-8-10-16(33-2)11-9-14/h8-12,15H,3-7,13H2,1-2H3,(H2,22,26)(H,25,31)/b23-12+
InChIKey	ZOLXYTNNEYQDIO-FSJBWODESA-N Google Search
Mol Weight	469.57 g/mol
Molecular Formula	C21H27N9O2S
Exact Mass	469.200842 g/mol

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SpectraBase Spectrum ID	8ybTUBaVdaP
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-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/C21H27N9O2S/c1-29(15-6-4-3-5-7-15)13-17-18(24-28-30(17)20-19(22)26-32-27-20)21(31)25-23-12-14-8-10-16(33-2)11-9-14/h8-12,15H,3-7,13H2,1-2H3,(H2,22,26)(H,25,31)/b23-12+
InChIKey	ZOLXYTNNEYQDIO-FSJBWODESA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_3674
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: D80052; Labnumber: NIG2-0850; SBI_ID: SBI-003676
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-{[4-(methylsulfanyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C