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

SpectraBase Compound ID	7ZdW5BWWJlp
InChI	InChI=1S/C21H22N4O2S/c1-4-13-25-20(16-7-5-15(2)6-8-16)23-24-21(25)28-14-19(26)22-17-9-11-18(27-3)12-10-17/h4-12H,1,13-14H2,2-3H3,(H,22,26)
InChIKey	KZSYYSHRBPQMOH-UHFFFAOYSA-N Google Search
Mol Weight	394.49 g/mol
Molecular Formula	C21H22N4O2S
Exact Mass	394.146347 g/mol

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SpectraBase Spectrum ID	JYl2DPG1Xws
Name	2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)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/C21H22N4O2S/c1-4-13-25-20(16-7-5-15(2)6-8-16)23-24-21(25)28-14-19(26)22-17-9-11-18(27-3)12-10-17/h4-12H,1,13-14H2,2-3H3,(H,22,26)
InChIKey	KZSYYSHRBPQMOH-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14529
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: D98654; Labnumber: GRES-24378; SBI_ID: SBI-014532
Temperature	308 °C