ethanone, 1-(4-bromophenyl)-2-[[5-[[(4-methoxyphenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-

SpectraBase Compound ID	6gE37QsIuxa
InChI	InChI=1S/C24H21BrN4O2S/c1-31-21-13-11-19(12-14-21)26-15-23-27-28-24(29(23)20-5-3-2-4-6-20)32-16-22(30)17-7-9-18(25)10-8-17/h2-14,26H,15-16H2,1H3
InChIKey	WJUKNMBTUCHSIB-UHFFFAOYSA-N Google Search
Mol Weight	509.42 g/mol
Molecular Formula	C24H21BrN4O2S
Exact Mass	508.05686 g/mol

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SpectraBase Spectrum ID	9P65mE6C7mJ
Name	ethanone, 1-(4-bromophenyl)-2-[[5-[[(4-methoxyphenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
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/C24H21BrN4O2S/c1-31-21-13-11-19(12-14-21)26-15-23-27-28-24(29(23)20-5-3-2-4-6-20)32-16-22(30)17-7-9-18(25)10-8-17/h2-14,26H,15-16H2,1H3
InChIKey	WJUKNMBTUCHSIB-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_7956
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/11211113; Labnumber: 0480