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

SpectraBase Compound ID	5QLS5UTuNA0
InChI	InChI=1S/C20H18ClFN4O2S/c1-3-10-26-19(14-6-4-5-7-17(14)28-2)24-25-20(26)29-12-18(27)23-13-8-9-16(22)15(21)11-13/h3-9,11H,1,10,12H2,2H3,(H,23,27)
InChIKey	MSTUIUGJJVFSCY-UHFFFAOYSA-N Google Search
Mol Weight	432.9 g/mol
Molecular Formula	C20H18ClFN4O2S
Exact Mass	432.082303 g/mol

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SpectraBase Spectrum ID	658ZgbYjBFS
Name	2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)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/C20H18ClFN4O2S/c1-3-10-26-19(14-6-4-5-7-17(14)28-2)24-25-20(26)29-12-18(27)23-13-8-9-16(22)15(21)11-13/h3-9,11H,1,10,12H2,2H3,(H,23,27)
InChIKey	MSTUIUGJJVFSCY-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11340
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: E06648; Labnumber: GRES-26788; SBI_ID: SBI-011343
Temperature	308 °C