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

SpectraBase Compound ID	AdsbNr3nL2x
InChI	InChI=1S/C22H17BrClN3S/c1-15-5-7-17(8-6-15)21-25-26-22(27(21)20-11-9-19(24)10-12-20)28-14-16-3-2-4-18(23)13-16/h2-13H,14H2,1H3
InChIKey	DHRXVYDLDUNINJ-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	DTglGdFNyMj
Name	3-[(3-bromobenzyl)sulfanyl]-4-(4-chlorophenyl)-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/C22H17BrClN3S/c1-15-5-7-17(8-6-15)21-25-26-22(27(21)20-11-9-19(24)10-12-20)28-14-16-3-2-4-18(23)13-16/h2-13H,14H2,1H3
InChIKey	DHRXVYDLDUNINJ-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14505
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: D98614; Labnumber: GRES-23661; SBI_ID: SBI-014508
Synonyms	3-bromobenzyl 4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl sulfide
Temperature	308 °C