2-({4-benzyl-5-[(4-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dimethylphenyl)acetamide

SpectraBase Compound ID	6p936DjeJZg
InChI	InChI=1S/C26H25BrN4O2S/c1-18-7-6-10-23(19(18)2)28-25(32)17-34-26-30-29-24(16-33-22-13-11-21(27)12-14-22)31(26)15-20-8-4-3-5-9-20/h3-14H,15-17H2,1-2H3,(H,28,32)
InChIKey	SPIXKBYOWFJOBR-UHFFFAOYSA-N Google Search
Mol Weight	537.48 g/mol
Molecular Formula	C26H25BrN4O2S
Exact Mass	536.08816 g/mol

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SpectraBase Spectrum ID	G1t61dxkvCQ
Name	2-({4-benzyl-5-[(4-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dimethylphenyl)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/C26H25BrN4O2S/c1-18-7-6-10-23(19(18)2)28-25(32)17-34-26-30-29-24(16-33-22-13-11-21(27)12-14-22)31(26)15-20-8-4-3-5-9-20/h3-14H,15-17H2,1-2H3,(H,28,32)
InChIKey	SPIXKBYOWFJOBR-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6649
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/11261869; Labnumber: 1445; IOH_ID: IOH-006650