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

View entire compound with spectra: 2 NMR

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 9kji27f6wxT
InChI InChI=1S/C18H19N11O3S/c1-3-31-12-6-4-11(5-7-12)8-20-23-17(30)14-13(9-33-18-24-21-10-28(18)2)29(27-22-14)16-15(19)25-32-26-16/h4-8,10H,3,9H2,1-2H3,(H2,19,25)(H,23,30)/b20-8+
InChIKey FYBJSHTYLXKSPW-DNTJNYDQSA-N
Mol Weight 469.48 g/mol
Molecular Formula C18H19N11O3S
Exact Mass 469.139305 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BJMCEJuWK8A
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H19N11O3S/c1-3-31-12-6-4-11(5-7-12)8-20-23-17(30)14-13(9-33-18-24-21-10-28(18)2)29(27-22-14)16-15(19)25-32-26-16/h4-8,10H,3,9H2,1-2H3,(H2,19,25)(H,23,30)/b20-8+
InChIKey FYBJSHTYLXKSPW-DNTJNYDQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28047
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: D80201; Labnumber: NIG2-1620; SBI_ID: SBI-028051
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(4-ethoxyphenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 318 °C