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

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2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
SpectraBase Compound ID BUR9nly7nVF
InChI InChI=1S/C25H24ClN5OS/c1-17-4-6-18(7-5-17)24-28-29-25(31(24)22-12-8-19(26)9-13-22)33-16-23(32)27-20-10-14-21(15-11-20)30(2)3/h4-15H,16H2,1-3H3,(H,27,32)
InChIKey DVUGKHIOFNWEAB-UHFFFAOYSA-N
Mol Weight 478.01 g/mol
Molecular Formula C25H24ClN5OS
Exact Mass 477.139009 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ArUQjvExyPS
Name 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]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/C25H24ClN5OS/c1-17-4-6-18(7-5-17)24-28-29-25(31(24)22-12-8-19(26)9-13-22)33-16-23(32)27-20-10-14-21(15-11-20)30(2)3/h4-15H,16H2,1-3H3,(H,27,32)
InChIKey DVUGKHIOFNWEAB-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4962
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: E08428; Labnumber: GRES-37051; SBI_ID: SBI-004964
Temperature 308 °C