2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide

SpectraBase Compound ID	DqmRVNOjHoF
InChI	InChI=1S/C21H21FN4O2S/c1-4-11-26-20(15-6-9-17(28-3)10-7-15)24-25-21(26)29-13-19(27)23-16-8-5-14(2)18(22)12-16/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)
InChIKey	VAFSBOSEMFKWKD-UHFFFAOYSA-N Google Search
Mol Weight	412.48 g/mol
Molecular Formula	C21H21FN4O2S
Exact Mass	412.136925 g/mol

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SpectraBase Spectrum ID	Fm7pWkU0zF8
Name	2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
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/C21H21FN4O2S/c1-4-11-26-20(15-6-9-17(28-3)10-7-15)24-25-21(26)29-13-19(27)23-16-8-5-14(2)18(22)12-16/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)
InChIKey	VAFSBOSEMFKWKD-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14610
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: D98775; Labnumber: GRES-26127; SBI_ID: SBI-014613
Temperature	318 °C