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

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2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
SpectraBase Compound ID EftK2zepqGh
InChI InChI=1S/C25H20F3N5O2S/c1-35-21-13-11-20(12-14-21)33-23(18-5-3-2-4-6-18)31-32-24(33)36-16-22(34)30-29-15-17-7-9-19(10-8-17)25(26,27)28/h2-15H,16H2,1H3,(H,30,34)/b29-15+
InChIKey CUESCCCMVMWRCJ-WKULSOCRSA-N
Mol Weight 511.52 g/mol
Molecular Formula C25H20F3N5O2S
Exact Mass 511.128981 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1rqKh6bMXuW
Name 2-{[4-(4-methoxyphenyl)-5-phenyl-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/C25H20F3N5O2S/c1-35-21-13-11-20(12-14-21)33-23(18-5-3-2-4-6-18)31-32-24(33)36-16-22(34)30-29-15-17-7-9-19(10-8-17)25(26,27)28/h2-15H,16H2,1H3,(H,30,34)/b29-15+
InChIKey CUESCCCMVMWRCJ-WKULSOCRSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6820
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: D24561; Labnumber: GRES-02552; SBI_ID: SBI-006823
Synonyms 2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Temperature 308 °C