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

SpectraBase Compound ID	Fsp8YmWdwbp
InChI	InChI=1S/C21H21ClN4OS/c1-3-13-26-20(17-7-5-6-8-18(17)22)24-25-21(26)28-14-19(27)23-16-11-9-15(4-2)10-12-16/h3,5-12H,1,4,13-14H2,2H3,(H,23,27)
InChIKey	POEOCYBLHPHTRV-UHFFFAOYSA-N Google Search
Mol Weight	412.94 g/mol
Molecular Formula	C21H21ClN4OS
Exact Mass	412.11246 g/mol

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SpectraBase Spectrum ID	HDw63x0IOg5
Name	2-{[4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)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/C21H21ClN4OS/c1-3-13-26-20(17-7-5-6-8-18(17)22)24-25-21(26)28-14-19(27)23-16-11-9-15(4-2)10-12-16/h3,5-12H,1,4,13-14H2,2H3,(H,23,27)
InChIKey	POEOCYBLHPHTRV-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4025
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: D98424; Labnumber: GRES-20803; SBI_ID: SBI-004027
Temperature	308 °C