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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,5-dimethoxyphenyl)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)-(2,5-dimethoxyphenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID LSIEDeXkWCd
InChI InChI=1S/C18H19N11O4S/c1-28-9-21-24-18(28)34-8-12-14(22-27-29(12)16-15(19)25-33-26-16)17(30)23-20-7-10-6-11(31-2)4-5-13(10)32-3/h4-7,9H,8H2,1-3H3,(H2,19,25)(H,23,30)/b20-7+
InChIKey VGKDXFIMFHSATK-IFRROFPPSA-N
Mol Weight 485.48 g/mol
Molecular Formula C18H19N11O4S
Exact Mass 485.134219 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KSdOqR3vldf
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,5-dimethoxyphenyl)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/C18H19N11O4S/c1-28-9-21-24-18(28)34-8-12-14(22-27-29(12)16-15(19)25-33-26-16)17(30)23-20-7-10-6-11(31-2)4-5-13(10)32-3/h4-7,9H,8H2,1-3H3,(H2,19,25)(H,23,30)/b20-7+
InChIKey VGKDXFIMFHSATK-IFRROFPPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13113
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: D79979; Labnumber: NIG2-0386; SBI_ID: SBI-013116
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(2,5-dimethoxyphenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 315 °C