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

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N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID LBtWtKag9qP
InChI InChI=1S/C25H22BrN5O3S/c1-16-8-10-18(11-9-16)24-29-30-25(31(24)19-6-4-3-5-7-19)35-15-22(32)28-27-14-17-12-20(26)23(33)21(13-17)34-2/h3-14,33H,15H2,1-2H3,(H,28,32)/b27-14+
InChIKey KWSOULBMOOPPFJ-MZJWZYIUSA-N
Mol Weight 552.45 g/mol
Molecular Formula C25H22BrN5O3S
Exact Mass 551.062674 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1p1pO1OSY5l
Name N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-{[5-(4-methylphenyl)-4-phenyl-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/C25H22BrN5O3S/c1-16-8-10-18(11-9-16)24-29-30-25(31(24)19-6-4-3-5-7-19)35-15-22(32)28-27-14-17-12-20(26)23(33)21(13-17)34-2/h3-14,33H,15H2,1-2H3,(H,28,32)/b27-14+
InChIKey KWSOULBMOOPPFJ-MZJWZYIUSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3624
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: D13025; Labnumber: GRES-01084; SBI_ID: SBI-003626
Synonyms N'-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Temperature 315 °C