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

SpectraBase Compound ID	CqtrpsDHD10
InChI	InChI=1S/C22H23FN4O2S/c1-4-11-27-20(13-29-18-9-5-15(2)6-10-18)25-26-22(27)30-14-21(28)24-17-8-7-16(3)19(23)12-17/h4-10,12H,1,11,13-14H2,2-3H3,(H,24,28)
InChIKey	KFDOTTXKCHHRSZ-UHFFFAOYSA-N Google Search
Mol Weight	426.51 g/mol
Molecular Formula	C22H23FN4O2S
Exact Mass	426.152575 g/mol

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SpectraBase Spectrum ID	20reRvQA56q
Name	2-({4-allyl-5-[(4-methylphenoxy)methyl]-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/C22H23FN4O2S/c1-4-11-27-20(13-29-18-9-5-15(2)6-10-18)25-26-22(27)30-14-21(28)24-17-8-7-16(3)19(23)12-17/h4-10,12H,1,11,13-14H2,2-3H3,(H,24,28)
InChIKey	KFDOTTXKCHHRSZ-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11144
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: E06145; Labnumber: GRES-17026; SBI_ID: SBI-011147
Temperature	306 °C