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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-methoxyphenyl)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-methoxyphenyl)acetamide
SpectraBase Compound ID 3DVcx3WE8Tj
InChI InChI=1S/C23H23BrN6O2S/c1-15-22(24)16(2)29(28-15)13-20-26-27-23(30(20)18-7-5-4-6-8-18)33-14-21(31)25-17-9-11-19(32-3)12-10-17/h4-12H,13-14H2,1-3H3,(H,25,31)
InChIKey RATZSWHNWUCEFV-UHFFFAOYSA-N
Mol Weight 527.44 g/mol
Molecular Formula C23H23BrN6O2S
Exact Mass 526.078658 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IEitrcSb85X
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-methoxyphenyl)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/C23H23BrN6O2S/c1-15-22(24)16(2)29(28-15)13-20-26-27-23(30(20)18-7-5-4-6-8-18)33-14-21(31)25-17-9-11-19(32-3)12-10-17/h4-12H,13-14H2,1-3H3,(H,25,31)
InChIKey RATZSWHNWUCEFV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16875
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/1268095; Labnumber: PVB0027; UZI_ID: UZI-016879
Temperature 308 °C