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

SpectraBase Compound ID	zfbC7ekoDz
InChI	InChI=1S/C23H20BrN3OS/c1-16-6-8-18(9-7-16)22-25-26-23(29-15-17-4-3-5-19(24)14-17)27(22)20-10-12-21(28-2)13-11-20/h3-14H,15H2,1-2H3
InChIKey	JWRZGIGPMHNKDW-UHFFFAOYSA-N Google Search
Mol Weight	466.4 g/mol
Molecular Formula	C23H20BrN3OS
Exact Mass	465.051046 g/mol

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SpectraBase Spectrum ID	IvYiOdGAZz8
Name	3-[(3-bromobenzyl)sulfanyl]-4-(4-methoxyphenyl)-5-(4-methylphenyl)-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/C23H20BrN3OS/c1-16-6-8-18(9-7-16)22-25-26-23(29-15-17-4-3-5-19(24)14-17)27(22)20-10-12-21(28-2)13-11-20/h3-14H,15H2,1-2H3
InChIKey	JWRZGIGPMHNKDW-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4492
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: D99037; Labnumber: GRES-30456; SBI_ID: SBI-004494
Synonyms	4-[3-[(3-bromobenzyl)sulfanyl]-5-(4-methylphenyl)-4H-1,2,4-triazol-4-yl]phenyl methyl ether
Temperature	315 °C