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N'-[(E)-1-(3-bromophenyl)ethylidene]-2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

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N'-[(E)-1-(3-bromophenyl)ethylidene]-2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID 7xpEpxpXCQB
InChI InChI=1S/C25H21BrClN5O2S/c1-16(18-4-3-5-19(26)14-18)28-29-23(33)15-35-25-31-30-24(17-6-12-22(34-2)13-7-17)32(25)21-10-8-20(27)9-11-21/h3-14H,15H2,1-2H3,(H,29,33)/b28-16+
InChIKey FEKJDMPWIDBMOL-LQKURTRISA-N
Mol Weight 570.89 g/mol
Molecular Formula C25H21BrClN5O2S
Exact Mass 569.028787 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AsgRiUxgUCr
Name N'-[(E)-1-(3-bromophenyl)ethylidene]-2-{[4-(4-chlorophenyl)-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/C25H21BrClN5O2S/c1-16(18-4-3-5-19(26)14-18)28-29-23(33)15-35-25-31-30-24(17-6-12-22(34-2)13-7-17)32(25)21-10-8-20(27)9-11-21/h3-14H,15H2,1-2H3,(H,29,33)/b28-16+
InChIKey FEKJDMPWIDBMOL-LQKURTRISA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16640
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: D23792; Labnumber: GRES-01514; SBI_ID: SBI-016643
Synonyms N'-[1-(3-bromophenyl)ethylidene]-2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Temperature 315 °C