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

SpectraBase Compound ID	I8InDHH6kbh
InChI	InChI=1S/C21H21FN4O2S/c1-3-11-26-19(13-28-18-9-7-15(2)8-10-18)24-25-21(26)29-14-20(27)23-17-6-4-5-16(22)12-17/h3-10,12H,1,11,13-14H2,2H3,(H,23,27)
InChIKey	NHOTVMSQZPUPAM-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	3Gl4aFW3sF5
Name	2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-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/C21H21FN4O2S/c1-3-11-26-19(13-28-18-9-7-15(2)8-10-18)24-25-21(26)29-14-20(27)23-17-6-4-5-16(22)12-17/h3-10,12H,1,11,13-14H2,2H3,(H,23,27)
InChIKey	NHOTVMSQZPUPAM-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11078
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: E05770; Labnumber: GRES-10017; SBI_ID: SBI-011081
Temperature	318 °C