4-(4-chlorophenyl)-3-[(3-fluorobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole

SpectraBase Compound ID	CFe4z6CC1xl
InChI	InChI=1S/C22H17ClFN3OS/c1-28-20-7-3-5-16(13-20)21-25-26-22(27(21)19-10-8-17(23)9-11-19)29-14-15-4-2-6-18(24)12-15/h2-13H,14H2,1H3
InChIKey	KFQXIMOBFUHNFF-UHFFFAOYSA-N Google Search
Mol Weight	425.91 g/mol
Molecular Formula	C22H17ClFN3OS
Exact Mass	425.076489 g/mol

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SpectraBase Spectrum ID	KcFXSTDMOn6
Name	4-(4-chlorophenyl)-3-[(3-fluorobenzyl)sulfanyl]-5-(3-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/C22H17ClFN3OS/c1-28-20-7-3-5-16(13-20)21-25-26-22(27(21)19-10-8-17(23)9-11-19)29-14-15-4-2-6-18(24)12-15/h2-13H,14H2,1H3
InChIKey	KFQXIMOBFUHNFF-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11238
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: E06522; Labnumber: GRES-24044; SBI_ID: SBI-011241
Synonyms	3-{4-(4-chlorophenyl)-5-[(3-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl methyl ether
Temperature	315 °C