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

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2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
SpectraBase Compound ID 4tPnLgin2Fq
InChI InChI=1S/C24H21ClN4OS/c1-16-7-11-18(12-8-16)26-22(30)15-31-24-28-27-23(20-5-3-4-6-21(20)25)29(24)19-13-9-17(2)10-14-19/h3-14H,15H2,1-2H3,(H,26,30)
InChIKey UMTLIMMEPHETFB-UHFFFAOYSA-N
Mol Weight 448.97 g/mol
Molecular Formula C24H21ClN4OS
Exact Mass 448.11246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 83CdgkDrBux
Name 2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(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/C24H21ClN4OS/c1-16-7-11-18(12-8-16)26-22(30)15-31-24-28-27-23(20-5-3-4-6-21(20)25)29(24)19-13-9-17(2)10-14-19/h3-14H,15H2,1-2H3,(H,26,30)
InChIKey UMTLIMMEPHETFB-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4376
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: D98907; Labnumber: GRES-28112; SBI_ID: SBI-004378
Temperature 306 °C