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2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide

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2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
SpectraBase Compound ID EXkIPv0wCbz
InChI InChI=1S/C29H23ClN4O3S/c1-36-24-15-7-20(8-16-24)28-32-33-29(34(28)23-13-9-21(30)10-14-23)38-19-27(35)31-22-11-17-26(18-12-22)37-25-5-3-2-4-6-25/h2-18H,19H2,1H3,(H,31,35)
InChIKey FXIIJCYZYIEPPO-UHFFFAOYSA-N
Mol Weight 543.04 g/mol
Molecular Formula C29H23ClN4O3S
Exact Mass 542.117939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AeKEtdyBG1o
Name 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)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/C29H23ClN4O3S/c1-36-24-15-7-20(8-16-24)28-32-33-29(34(28)23-13-9-21(30)10-14-23)38-19-27(35)31-22-11-17-26(18-12-22)37-25-5-3-2-4-6-25/h2-18H,19H2,1H3,(H,31,35)
InChIKey FXIIJCYZYIEPPO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17104
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: D25521; Labnumber: GRES-04597; SBI_ID: SBI-017107
Temperature 308 °C