3-(1-benzofuran-2-yl)-4-benzyl-5-[(3-bromo-4-methoxybenzyl)sulfanyl]-4H-1,2,4-triazole

SpectraBase Compound ID	4gObNaYRdnh
InChI	InChI=1S/C25H20BrN3O2S/c1-30-22-12-11-18(13-20(22)26)16-32-25-28-27-24(29(25)15-17-7-3-2-4-8-17)23-14-19-9-5-6-10-21(19)31-23/h2-14H,15-16H2,1H3
InChIKey	ZDKSFQXTECHREI-UHFFFAOYSA-N Google Search
Mol Weight	506.42 g/mol
Molecular Formula	C25H20BrN3O2S
Exact Mass	505.045961 g/mol

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SpectraBase Spectrum ID	4eQC08DmXnV
Name	3-(1-benzofuran-2-yl)-4-benzyl-5-[(3-bromo-4-methoxybenzyl)sulfanyl]-4H-1,2,4-triazole
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/C25H20BrN3O2S/c1-30-22-12-11-18(13-20(22)26)16-32-25-28-27-24(29(25)15-17-7-3-2-4-8-17)23-14-19-9-5-6-10-21(19)31-23/h2-14H,15-16H2,1H3
InChIKey	ZDKSFQXTECHREI-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_26643
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: D63715; Labnumber: AEKA03-0192; SBI_ID: SBI-026647
Synonyms	4-({[5-(1-benzofuran-2-yl)-4-benzyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-bromophenyl methyl ether
Temperature	315 °C