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

SpectraBase Compound ID	FN8yrZViqcb
InChI	InChI=1S/C19H18BrN3OS/c1-3-11-23-18(15-7-9-17(24-2)10-8-15)21-22-19(23)25-13-14-5-4-6-16(20)12-14/h3-10,12H,1,11,13H2,2H3
InChIKey	HYZVMKYPCVSYOE-UHFFFAOYSA-N Google Search
Mol Weight	416.34 g/mol
Molecular Formula	C19H18BrN3OS
Exact Mass	415.035396 g/mol

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SpectraBase Spectrum ID	HIWS4jiACBZ
Name	4-allyl-3-[(3-bromobenzyl)sulfanyl]-5-(4-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/C19H18BrN3OS/c1-3-11-23-18(15-7-9-17(24-2)10-8-15)21-22-19(23)25-13-14-5-4-6-16(20)12-14/h3-10,12H,1,11,13H2,2H3
InChIKey	HYZVMKYPCVSYOE-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14622
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: D98792; Labnumber: GRES-26356; SBI_ID: SBI-014625
Synonyms	4-{4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl methyl ether
Temperature	318 °C