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

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2-({4-amino-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-bromo-4-methylphenyl)acetamide
SpectraBase Compound ID JMlXBgu1YtQ
InChI InChI=1S/C18H17BrClN5O2S/c1-11-2-7-15(14(19)8-11)22-17(26)10-28-18-24-23-16(25(18)21)9-27-13-5-3-12(20)4-6-13/h2-8H,9-10,21H2,1H3,(H,22,26)
InChIKey YPVSXCXTDSRHJM-UHFFFAOYSA-N
Mol Weight 482.78 g/mol
Molecular Formula C18H17BrClN5O2S
Exact Mass 480.997487 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7OMwlyRrdh2
Name 2-({4-amino-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-bromo-4-methylphenyl)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/C18H17BrClN5O2S/c1-11-2-7-15(14(19)8-11)22-17(26)10-28-18-24-23-16(25(18)21)9-27-13-5-3-12(20)4-6-13/h2-8H,9-10,21H2,1H3,(H,22,26)
InChIKey YPVSXCXTDSRHJM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6532
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/11261374; Labnumber: LP-2110985; IOH_ID: IOH-006533