3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole

SpectraBase Compound ID	LnqAH2Pk3Ou
InChI	InChI=1S/C22H18ClN3OS/c23-18-11-13-20(14-12-18)27-15-21-24-25-22(26(21)19-9-5-2-6-10-19)28-16-17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKey	NCRRLTKBJSBCAX-UHFFFAOYSA-N Google Search
Mol Weight	407.92 g/mol
Molecular Formula	C22H18ClN3OS
Exact Mass	407.085911 g/mol

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SpectraBase Spectrum ID	AK00dkW9Luc
Name	3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-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/C22H18ClN3OS/c23-18-11-13-20(14-12-18)27-15-21-24-25-22(26(21)19-9-5-2-6-10-19)28-16-17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKey	NCRRLTKBJSBCAX-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_5448
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: UZI/8160583; UBI_ID: UBI-005450
Synonyms	[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl 4-chlorophenyl ether
Temperature	308 °C