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

SpectraBase Compound ID	6Cn4PQIYWxw
InChI	InChI=1S/C21H21ClN4OS/c1-4-10-26-20(16-7-5-6-14(2)11-16)24-25-21(26)28-13-19(27)23-18-9-8-17(22)12-15(18)3/h4-9,11-12H,1,10,13H2,2-3H3,(H,23,27)
InChIKey	FXSDCGINFVPSNN-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	GypiwgDJUzU
Name	2-{[4-allyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-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/C21H21ClN4OS/c1-4-10-26-20(16-7-5-6-14(2)11-16)24-25-21(26)28-13-19(27)23-18-9-8-17(22)12-15(18)3/h4-9,11-12H,1,10,13H2,2-3H3,(H,23,27)
InChIKey	FXSDCGINFVPSNN-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11510
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: E06429; Labnumber: GRES-22482; SBI_ID: SBI-011513
Temperature	308 °C