3-[(4-bromobenzyl)sulfanyl]-4-(2-furylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole

SpectraBase Compound ID	DnFa8yyr2J6
InChI	InChI=1S/C21H18BrN3O2S/c1-26-18-5-2-4-16(12-18)20-23-24-21(25(20)13-19-6-3-11-27-19)28-14-15-7-9-17(22)10-8-15/h2-12H,13-14H2,1H3
InChIKey	VPZWDUGDCGPWAC-UHFFFAOYSA-N Google Search
Mol Weight	456.36 g/mol
Molecular Formula	C21H18BrN3O2S
Exact Mass	455.030311 g/mol

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SpectraBase Spectrum ID	5RS4JG2N38J
Name	3-[(4-bromobenzyl)sulfanyl]-4-(2-furylmethyl)-5-(3-methoxyphenyl)-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/C21H18BrN3O2S/c1-26-18-5-2-4-16(12-18)20-23-24-21(25(20)13-19-6-3-11-27-19)28-14-15-7-9-17(22)10-8-15/h2-12H,13-14H2,1H3
InChIKey	VPZWDUGDCGPWAC-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11165
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: E06180; Labnumber: GRES-17705; SBI_ID: SBI-011168
Synonyms	3-[5-[(4-bromobenzyl)sulfanyl]-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]phenyl methyl ether
Temperature	306 °C