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

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2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
SpectraBase Compound ID IMYzVaWeoJX
InChI InChI=1S/C24H21ClN4O2S/c1-16-8-13-21(31-2)20(14-16)26-22(30)15-32-24-28-27-23(17-6-4-3-5-7-17)29(24)19-11-9-18(25)10-12-19/h3-14H,15H2,1-2H3,(H,26,30)
InChIKey XRVFLRFTBXCXLR-UHFFFAOYSA-N
Mol Weight 464.97 g/mol
Molecular Formula C24H21ClN4O2S
Exact Mass 464.107375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GNXs67HPkhO
Name 2-{[4-(4-chlorophenyl)-5-phenyl-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/C24H21ClN4O2S/c1-16-8-13-21(31-2)20(14-16)26-22(30)15-32-24-28-27-23(17-6-4-3-5-7-17)29(24)19-11-9-18(25)10-12-19/h3-14H,15H2,1-2H3,(H,26,30)
InChIKey XRVFLRFTBXCXLR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4040
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: D98458; Labnumber: GRES-21274; SBI_ID: SBI-004042
Temperature 308 °C