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N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID JmaFzDHFBTE
InChI InChI=1S/C22H15ClF3N5OS/c23-18-9-8-15(11-17(18)22(24,25)26)28-19(32)13-33-21-30-29-20(14-5-4-10-27-12-14)31(21)16-6-2-1-3-7-16/h1-12H,13H2,(H,28,32)
InChIKey BCNRZZBCNWKGOA-UHFFFAOYSA-N
Mol Weight 489.9 g/mol
Molecular Formula C22H15ClF3N5OS
Exact Mass 489.063793 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID WHh2mDL5Xd
Name N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-phenyl-5-(3-pyridinyl)-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/C22H15ClF3N5OS/c23-18-9-8-15(11-17(18)22(24,25)26)28-19(32)13-33-21-30-29-20(14-5-4-10-27-12-14)31(21)16-6-2-1-3-7-16/h1-12H,13H2,(H,28,32)
InChIKey BCNRZZBCNWKGOA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27364
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: D76287; Labnumber: MOR-8638; SBI_ID: SBI-027368
Temperature 315 °C