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N'-[(E,2Z)-2-bromo-3-phenyl-2-propenylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

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N'-[(E,2Z)-2-bromo-3-phenyl-2-propenylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID ISyTgq3M3DL
InChI InChI=1S/C22H22BrN5O2S/c1-3-28-21(17-9-11-19(30-2)12-10-17)26-27-22(28)31-15-20(29)25-24-14-18(23)13-16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3,(H,25,29)/b18-13-,24-14+
InChIKey VLFORTBWDDFVKG-ZRLAZVNZSA-N
Mol Weight 500.42 g/mol
Molecular Formula C22H22BrN5O2S
Exact Mass 499.067759 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FG7kKWrhvJ7
Name N'-[(E,2Z)-2-bromo-3-phenyl-2-propenylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
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/C22H22BrN5O2S/c1-3-28-21(17-9-11-19(30-2)12-10-17)26-27-22(28)31-15-20(29)25-24-14-18(23)13-16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3,(H,25,29)/b18-13-,24-14+
InChIKey VLFORTBWDDFVKG-ZRLAZVNZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_667
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: C25159; Labnumber: UGRES-09272; SBI_ID: SBI-000669
Synonyms N'-[2-bromo-3-phenyl-2-propenylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Temperature 318 °C