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

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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-methoxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID A1tDQE20sTi
InChI InChI=1S/C21H20N8O3S/c1-13-6-8-16(9-7-13)33-12-17-18(24-28-29(17)20-19(22)26-32-27-20)21(30)25-23-11-14-4-3-5-15(10-14)31-2/h3-11H,12H2,1-2H3,(H2,22,26)(H,25,30)/b23-11+
InChIKey HCQUMBBUIRXYSG-FOKLQQMPSA-N
Mol Weight 464.5 g/mol
Molecular Formula C21H20N8O3S
Exact Mass 464.137908 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1c7PYdWtS2c
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-methoxyphenyl)methylidene]-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/C21H20N8O3S/c1-13-6-8-16(9-7-13)33-12-17-18(24-28-29(17)20-19(22)26-32-27-20)21(30)25-23-11-14-4-3-5-15(10-14)31-2/h3-11H,12H2,1-2H3,(H2,22,26)(H,25,30)/b23-11+
InChIKey HCQUMBBUIRXYSG-FOKLQQMPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3678
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: D80073; Labnumber: NIG2-0974; SBI_ID: SBI-003680
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3-methoxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 318 °C