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

SpectraBase Compound ID	GwGqQgAJwFF
InChI	InChI=1S/C21H21ClN4OS/c1-4-9-26-20(17-7-5-6-8-18(17)22)24-25-21(26)28-13-19(27)23-16-11-14(2)10-15(3)12-16/h4-8,10-12H,1,9,13H2,2-3H3,(H,23,27)
InChIKey	UKVGBNUECGPPDL-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	3zr8Ui9LnR1
Name	2-{[4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-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/c1-4-9-26-20(17-7-5-6-8-18(17)22)24-25-21(26)28-13-19(27)23-16-11-14(2)10-15(3)12-16/h4-8,10-12H,1,9,13H2,2-3H3,(H,23,27)
InChIKey	UKVGBNUECGPPDL-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4090
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: D98545; Labnumber: GRES-22584; SBI_ID: SBI-004092
Temperature	318 °C