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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-isopropylphenyl)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: 1 NMR

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-isopropylphenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 9Y4BpzvaOrk
InChI InChI=1S/C19H21N11O2S/c1-11(2)13-6-4-12(5-7-13)8-21-24-18(31)15-14(9-33-19-25-22-10-29(19)3)30(28-23-15)17-16(20)26-32-27-17/h4-8,10-11H,9H2,1-3H3,(H2,20,26)(H,24,31)/b21-8+
InChIKey OJBGAJZJYMRWCJ-ODCIPOBUSA-N
Mol Weight 467.51 g/mol
Molecular Formula C19H21N11O2S
Exact Mass 467.16004 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KnyIWfXYKMq
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-isopropylphenyl)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 © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C19H21N11O2S/c1-11(2)13-6-4-12(5-7-13)8-21-24-18(31)15-14(9-33-19-25-22-10-29(19)3)30(28-23-15)17-16(20)26-32-27-17/h4-8,10-11H,9H2,1-3H3,(H2,20,26)(H,24,31)/b21-8+
InChIKey OJBGAJZJYMRWCJ-ODCIPOBUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28413
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: D81489; Labnumber: NIG2-2673; SBI_ID: SBI-028417
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(4-isopropylphenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 318 °C