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

SpectraBase Compound ID	KhuqDokaUwZ
InChI	InChI=1S/C22H17BrClN3S/c1-15-9-11-18(12-10-15)27-21(19-7-2-3-8-20(19)24)25-26-22(27)28-14-16-5-4-6-17(23)13-16/h2-13H,14H2,1H3
InChIKey	ATZXGKBDUCKAOF-UHFFFAOYSA-N Google Search
Mol Weight	470.82 g/mol
Molecular Formula	C22H17BrClN3S
Exact Mass	469.001509 g/mol

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SpectraBase Spectrum ID	DjKkvyPSkVX
Name	3-[(3-bromobenzyl)sulfanyl]-5-(2-chlorophenyl)-4-(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/C22H17BrClN3S/c1-15-9-11-18(12-10-15)27-21(19-7-2-3-8-20(19)24)25-26-22(27)28-14-16-5-4-6-17(23)13-16/h2-13H,14H2,1H3
InChIKey	ATZXGKBDUCKAOF-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4096
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: D98554; Labnumber: GRES-22722; SBI_ID: SBI-004098
Synonyms	3-bromobenzyl 5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl sulfide
Temperature	318 °C