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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 8AGwLQWloMX
InChI InChI=1S/C22H18ClF3N6OS/c1-13-10-18(30-31(13)2)20-28-29-21(32(20)15-6-4-3-5-7-15)34-12-19(33)27-17-11-14(22(24,25)26)8-9-16(17)23/h3-11H,12H2,1-2H3,(H,27,33)
InChIKey OYIJEUPWRFILFW-UHFFFAOYSA-N
Mol Weight 506.94 g/mol
Molecular Formula C22H18ClF3N6OS
Exact Mass 506.090343 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IjqnagBSD19
Name N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}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/C22H18ClF3N6OS/c1-13-10-18(30-31(13)2)20-28-29-21(32(20)15-6-4-3-5-7-15)34-12-19(33)27-17-11-14(22(24,25)26)8-9-16(17)23/h3-11H,12H2,1-2H3,(H,27,33)
InChIKey OYIJEUPWRFILFW-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11320
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: UZI/1026019; Labnumber: NIV0999; UZI_ID: UZI-011322
Temperature 308 °C