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

SpectraBase Compound ID	DlNWuTH9nhM
InChI	InChI=1S/C20H17N9O4S/c1-12-2-8-15(9-3-12)34-11-16-17(23-27-28(16)19-18(21)25-33-26-19)20(30)24-22-10-13-4-6-14(7-5-13)29(31)32/h2-10H,11H2,1H3,(H2,21,25)(H,24,30)/b22-10+
InChIKey	GQSGPNQRQUKLFU-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	9YgiofHeqT6
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-N'-[(E)-(4-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/c1-12-2-8-15(9-3-12)34-11-16-17(23-27-28(16)19-18(21)25-33-26-19)20(30)24-22-10-13-4-6-14(7-5-13)29(31)32/h2-10H,11H2,1H3,(H2,21,25)(H,24,30)/b22-10+
InChIKey	GQSGPNQRQUKLFU-LSHDLFTRSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_3683
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: D80100; Labnumber: NIG2-1156; SBI_ID: SBI-003685
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-N'-[(4-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C