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

SpectraBase Compound ID	Kw6iRh6bUeU
InChI	InChI=1S/C21H20F2N4O2S/c1-3-10-27-19(12-29-16-7-4-14(2)5-8-16)25-26-21(27)30-13-20(28)24-15-6-9-17(22)18(23)11-15/h3-9,11H,1,10,12-13H2,2H3,(H,24,28)
InChIKey	ATEXEDQNBZHBJZ-UHFFFAOYSA-N Google Search
Mol Weight	430.47 g/mol
Molecular Formula	C21H20F2N4O2S
Exact Mass	430.127503 g/mol

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SpectraBase Spectrum ID	7gkZqCZuK7F
Name	2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-difluorophenyl)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/C21H20F2N4O2S/c1-3-10-27-19(12-29-16-7-4-14(2)5-8-16)25-26-21(27)30-13-20(28)24-15-6-9-17(22)18(23)11-15/h3-9,11H,1,10,12-13H2,2H3,(H,24,28)
InChIKey	ATEXEDQNBZHBJZ-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11190
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: E06241; Labnumber: GRES-18931; SBI_ID: SBI-011193
Temperature	318 °C