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

SpectraBase Compound ID	JuEW05Cbez9
InChI	InChI=1S/C21H20N8O2S2/c1-13-3-7-16(8-4-13)33-12-17-18(24-28-29(17)20-19(22)26-31-27-20)21(30)25-23-11-14-5-9-15(32-2)10-6-14/h3-11H,12H2,1-2H3,(H2,22,26)(H,25,30)/b23-11+
InChIKey	DOBKUSJFIQYNIK-FOKLQQMPSA-N Google Search
Mol Weight	480.57 g/mol
Molecular Formula	C21H20N8O2S2
Exact Mass	480.115064 g/mol

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SpectraBase Spectrum ID	1VYdzU05eup
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]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/C21H20N8O2S2/c1-13-3-7-16(8-4-13)33-12-17-18(24-28-29(17)20-19(22)26-31-27-20)21(30)25-23-11-14-5-9-15(32-2)10-6-14/h3-11H,12H2,1-2H3,(H2,22,26)(H,25,30)/b23-11+
InChIKey	DOBKUSJFIQYNIK-FOKLQQMPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28042
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: D80182; Labnumber: NIG2-1542; SBI_ID: SBI-028046
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-N'-{[4-(methylsulfanyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C