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2-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide

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2-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID 21EvmlXiK9A
InChI InChI=1S/C22H20BrFN6OS/c1-14-21(23)15(2)29(28-14)12-19-26-27-22(30(19)18-6-4-3-5-7-18)32-13-20(31)25-17-10-8-16(24)9-11-17/h3-11H,12-13H2,1-2H3,(H,25,31)
InChIKey SBYCMOAODXHPLC-UHFFFAOYSA-N
Mol Weight 515.41 g/mol
Molecular Formula C22H20BrFN6OS
Exact Mass 514.058672 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hv5YdppA7Hq
Name 2-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)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/C22H20BrFN6OS/c1-14-21(23)15(2)29(28-14)12-19-26-27-22(30(19)18-6-4-3-5-7-18)32-13-20(31)25-17-10-8-16(24)9-11-17/h3-11H,12-13H2,1-2H3,(H,25,31)
InChIKey SBYCMOAODXHPLC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16871
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: UZI/1264183; Labnumber: PVB0022; UZI_ID: UZI-016875
Temperature 318 °C