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

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2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
SpectraBase Compound ID Cdq1q9l9eg7
InChI InChI=1S/C24H21ClN4OS/c1-16-6-8-18(9-7-16)23-27-28-24(29(23)21-12-10-19(25)11-13-21)31-15-22(30)26-20-5-3-4-17(2)14-20/h3-14H,15H2,1-2H3,(H,26,30)
InChIKey RSBLPFILNAMXSZ-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 1WXthJ3V128
Name 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-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/c1-16-6-8-18(9-7-16)23-27-28-24(29(23)21-12-10-19(25)11-13-21)31-15-22(30)26-20-5-3-4-17(2)14-20/h3-14H,15H2,1-2H3,(H,26,30)
InChIKey RSBLPFILNAMXSZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14315
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: D98174; Labnumber: GRES-16849; SBI_ID: SBI-014318
Temperature 318 °C