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

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2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID KC7VM2J8XVb
InChI InChI=1S/C22H16F3N5OS/c23-22(24,25)16-8-10-17(11-9-16)27-19(31)14-32-21-29-28-20(15-5-4-12-26-13-15)30(21)18-6-2-1-3-7-18/h1-13H,14H2,(H,27,31)
InChIKey CWOZMFAUJWUHLO-UHFFFAOYSA-N
Mol Weight 455.46 g/mol
Molecular Formula C22H16F3N5OS
Exact Mass 455.102766 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EBx1zPnpsom
Name 2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluoromethyl)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/C22H16F3N5OS/c23-22(24,25)16-8-10-17(11-9-16)27-19(31)14-32-21-29-28-20(15-5-4-12-26-13-15)30(21)18-6-2-1-3-7-18/h1-13H,14H2,(H,27,31)
InChIKey CWOZMFAUJWUHLO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27372
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: D76297; Labnumber: MOR-8649; SBI_ID: SBI-027376
Temperature 304 °C