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2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

View entire compound with spectra: 1 NMR

2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 9PTAdMBFwqO
InChI InChI=1S/C26H23F3N4OS2/c1-17-10-12-20(13-11-17)35-15-23-31-32-25(33(23)19-7-5-6-18(2)14-19)36-16-24(34)30-22-9-4-3-8-21(22)26(27,28)29/h3-14H,15-16H2,1-2H3,(H,30,34)
InChIKey IEOCLOPMJRHAOB-UHFFFAOYSA-N
Mol Weight 528.61 g/mol
Molecular Formula C26H23F3N4OS2
Exact Mass 528.126538 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GaQUhIJ7QuH
Name 2-[(4-(3-methylphenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
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/C26H23F3N4OS2/c1-17-10-12-20(13-11-17)35-15-23-31-32-25(33(23)19-7-5-6-18(2)14-19)36-16-24(34)30-22-9-4-3-8-21(22)26(27,28)29/h3-14H,15-16H2,1-2H3,(H,30,34)
InChIKey IEOCLOPMJRHAOB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6708
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: NMR/11261946; Labnumber: 1526; IOH_ID: IOH-006709