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

SpectraBase Compound ID	KUVTtWXYTwQ
InChI	InChI=1S/C23H18BrClN4OS/c24-17-11-9-16(10-12-17)21(30)15-31-23-28-27-22(29(23)20-7-2-1-3-8-20)14-26-19-6-4-5-18(25)13-19/h1-13,26H,14-15H2
InChIKey	XDTNMIQFTRPETR-UHFFFAOYSA-N Google Search
Mol Weight	513.84 g/mol
Molecular Formula	C23H18BrClN4OS
Exact Mass	512.007323 g/mol

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SpectraBase Spectrum ID	9eglLuKEIBS
Name	1-(4-bromophenyl)-2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)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/C23H18BrClN4OS/c24-17-11-9-16(10-12-17)21(30)15-31-23-28-27-22(29(23)20-7-2-1-3-8-20)14-26-19-6-4-5-18(25)13-19/h1-13,26H,14-15H2
InChIKey	XDTNMIQFTRPETR-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6684
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/11261905; Labnumber: 1482; IOH_ID: IOH-006685