3-[(2,6-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazole

SpectraBase Compound ID	95wCORzC46D
InChI	InChI=1S/C22H17Cl2N3OS/c1-28-17-12-10-16(11-13-17)27-21(15-6-3-2-4-7-15)25-26-22(27)29-14-18-19(23)8-5-9-20(18)24/h2-13H,14H2,1H3
InChIKey	DCCQIRPWIIHVEI-UHFFFAOYSA-N Google Search
Mol Weight	442.36 g/mol
Molecular Formula	C22H17Cl2N3OS
Exact Mass	441.046939 g/mol

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SpectraBase Spectrum ID	6pmKKl9MY3m
Name	3-[(2,6-dichlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-5-phenyl-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/C22H17Cl2N3OS/c1-28-17-12-10-16(11-13-17)27-21(15-6-3-2-4-7-15)25-26-22(27)29-14-18-19(23)8-5-9-20(18)24/h2-13H,14H2,1H3
InChIKey	DCCQIRPWIIHVEI-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4569
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: D99193; Labnumber: GRES-32921; SBI_ID: SBI-004571
Synonyms	4-{3-[(2,6-dichlorobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-yl}phenyl methyl ether
Temperature	315 °C