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

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2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
SpectraBase Compound ID 5MRNp7QDvv7
InChI InChI=1S/C26H25ClN4O4S/c1-17-4-13-23(34-3)22(14-17)28-25(32)16-36-26-30-29-24(15-35-21-9-5-18(27)6-10-21)31(26)19-7-11-20(33-2)12-8-19/h4-14H,15-16H2,1-3H3,(H,28,32)
InChIKey LIFKVSPEADAEDR-UHFFFAOYSA-N
Mol Weight 525.02 g/mol
Molecular Formula C26H25ClN4O4S
Exact Mass 524.128504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3OlF48TNa9m
Name 2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-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/C26H25ClN4O4S/c1-17-4-13-23(34-3)22(14-17)28-25(32)16-36-26-30-29-24(15-35-21-9-5-18(27)6-10-21)31(26)19-7-11-20(33-2)12-8-19/h4-14H,15-16H2,1-3H3,(H,28,32)
InChIKey LIFKVSPEADAEDR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11279
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: E06576; Labnumber: GRES-25164; SBI_ID: SBI-011282
Temperature 308 °C