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

SpectraBase Compound ID	J8oeIKjweN5
InChI	InChI=1S/C21H21ClN4OS/c1-4-11-26-20(16-6-8-17(22)9-7-16)24-25-21(26)28-13-19(27)23-18-10-5-14(2)15(3)12-18/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)
InChIKey	XRXUTSINJZVODL-UHFFFAOYSA-N Google Search
Mol Weight	412.94 g/mol
Molecular Formula	C21H21ClN4OS
Exact Mass	412.11246 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	D8wdjCz2PLm
Name	2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)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(16-6-8-17(22)9-7-16)24-25-21(26)28-13-19(27)23-18-10-5-14(2)15(3)12-18/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)
InChIKey	XRXUTSINJZVODL-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14360
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: D98311; Labnumber: GRES-19114; SBI_ID: SBI-014363
Temperature	308 °C