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

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2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
SpectraBase Compound ID 4u180RkDa7V
InChI InChI=1S/C21H20F3N5O2S/c1-3-29-19(15-6-10-17(31-2)11-7-15)27-28-20(29)32-13-18(30)26-25-12-14-4-8-16(9-5-14)21(22,23)24/h4-12H,3,13H2,1-2H3,(H,26,30)/b25-12+
InChIKey HMCLZWIALRSTJA-BRJLIKDPSA-N
Mol Weight 463.48 g/mol
Molecular Formula C21H20F3N5O2S
Exact Mass 463.128981 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E0sCV7xsJe1
Name 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}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/C21H20F3N5O2S/c1-3-29-19(15-6-10-17(31-2)11-7-15)27-28-20(29)32-13-18(30)26-25-12-14-4-8-16(9-5-14)21(22,23)24/h4-12H,3,13H2,1-2H3,(H,26,30)/b25-12+
InChIKey HMCLZWIALRSTJA-BRJLIKDPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_648
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: C25124; Labnumber: UGRES-09227; SBI_ID: SBI-000650
Synonyms 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Temperature 318 °C