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

SpectraBase Compound ID	7A8QKbFAJfP
InChI	InChI=1S/C22H17BrClN3OS/c1-28-20-4-2-3-16(13-20)21-25-26-22(27(21)19-11-9-18(24)10-12-19)29-14-15-5-7-17(23)8-6-15/h2-13H,14H2,1H3
InChIKey	QHSCWAJHPCCTHW-UHFFFAOYSA-N Google Search
Mol Weight	486.82 g/mol
Molecular Formula	C22H17BrClN3OS
Exact Mass	484.996424 g/mol

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SpectraBase Spectrum ID	IxkGXw0YiUO
Name	3-[(4-bromobenzyl)sulfanyl]-4-(4-chlorophenyl)-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/C22H17BrClN3OS/c1-28-20-4-2-3-16(13-20)21-25-26-22(27(21)19-11-9-18(24)10-12-19)29-14-15-5-7-17(23)8-6-15/h2-13H,14H2,1H3
InChIKey	QHSCWAJHPCCTHW-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11470
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: E06374; Labnumber: GRES-21594; SBI_ID: SBI-011473
Synonyms	3-[5-[(4-bromobenzyl)sulfanyl]-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]phenyl methyl ether
Temperature	308 °C