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

SpectraBase Compound ID	40HMAGEpF9j
InChI	InChI=1S/C21H21ClN4OS/c1-4-11-26-20(16-7-5-14(2)6-8-16)24-25-21(26)28-13-19(27)23-18-10-9-17(22)12-15(18)3/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)
InChIKey	SDQYPCIKXGJGRU-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	Gxn4gYAfWO
Name	2-{[4-allyl-5-(4-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/c1-4-11-26-20(16-7-5-14(2)6-8-16)24-25-21(26)28-13-19(27)23-18-10-9-17(22)12-15(18)3/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)
InChIKey	SDQYPCIKXGJGRU-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14362
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: D98314; Labnumber: GRES-19161; SBI_ID: SBI-014365
Temperature	308 °C