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

SpectraBase Compound ID	DNwdnDuB2p4
InChI	InChI=1S/C20H17N9O4S/c1-12-6-8-14(9-7-12)34-11-16-17(23-27-28(16)19-18(21)25-33-26-19)20(30)24-22-10-13-4-2-3-5-15(13)29(31)32/h2-10H,11H2,1H3,(H2,21,25)(H,24,30)/b22-10+
InChIKey	XNVWIYFFIADUAU-LSHDLFTRSA-N Google Search
Mol Weight	479.48 g/mol
Molecular Formula	C20H17N9O4S
Exact Mass	479.112421 g/mol

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SpectraBase Spectrum ID	12GJNwMVpRS
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-N'-[(E)-(2-nitrophenyl)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/C20H17N9O4S/c1-12-6-8-14(9-7-12)34-11-16-17(23-27-28(16)19-18(21)25-33-26-19)20(30)24-22-10-13-4-2-3-5-15(13)29(31)32/h2-10H,11H2,1H3,(H2,21,25)(H,24,30)/b22-10+
InChIKey	XNVWIYFFIADUAU-LSHDLFTRSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28059
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: D80231; Labnumber: NIG2-1835; SBI_ID: SBI-028063
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-N'-[(2-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C