3-[(4-chlorophenoxy)methyl]-5-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole

SpectraBase Compound ID	CRFNc4sOYRU
InChI	InChI=1S/C25H24ClN3O2S/c1-17-4-5-18(2)19(14-17)16-32-25-28-27-24(15-31-23-10-6-20(26)7-11-23)29(25)21-8-12-22(30-3)13-9-21/h4-14H,15-16H2,1-3H3
InChIKey	QUCNNPULNXITEO-UHFFFAOYSA-N Google Search
Mol Weight	466.0 g/mol
Molecular Formula	C25H24ClN3O2S
Exact Mass	465.127776 g/mol

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SpectraBase Spectrum ID	6amUt7gZtBy
Name	3-[(4-chlorophenoxy)methyl]-5-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-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/C25H24ClN3O2S/c1-17-4-5-18(2)19(14-17)16-32-25-28-27-24(15-31-23-10-6-20(26)7-11-23)29(25)21-8-12-22(30-3)13-9-21/h4-14H,15-16H2,1-3H3
InChIKey	QUCNNPULNXITEO-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11544
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: E06476; Labnumber: GRES-23184; SBI_ID: SBI-011547
Temperature	318 °C