2-({5-[(4-fluoroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylphenyl)ethanone

SpectraBase Compound ID	8BF0XBbD7el
InChI	InChI=1S/C24H21FN4OS/c1-17-7-9-18(10-8-17)22(30)16-31-24-28-27-23(29(24)21-5-3-2-4-6-21)15-26-20-13-11-19(25)12-14-20/h2-14,26H,15-16H2,1H3
InChIKey	TZDGKCJCQTUKRL-UHFFFAOYSA-N Google Search
Mol Weight	432.52 g/mol
Molecular Formula	C24H21FN4OS
Exact Mass	432.142011 g/mol

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SpectraBase Spectrum ID	45lMgc2WMfo
Name	2-({5-[(4-fluoroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylphenyl)ethanone
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/C24H21FN4OS/c1-17-7-9-18(10-8-17)22(30)16-31-24-28-27-23(29(24)21-5-3-2-4-6-21)15-26-20-13-11-19(25)12-14-20/h2-14,26H,15-16H2,1H3
InChIKey	TZDGKCJCQTUKRL-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_5500
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: NMR/11221699; Labnumber: 0655; IOH_ID: IOH-005501