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

SpectraBase Compound ID	5BBDIzaRoOx
InChI	InChI=1S/C21H22N4O3S/c1-4-11-25-20(15-7-5-9-17(12-15)27-2)23-24-21(25)29-14-19(26)22-16-8-6-10-18(13-16)28-3/h4-10,12-13H,1,11,14H2,2-3H3,(H,22,26)
InChIKey	RUIWIQSMRJWMEB-UHFFFAOYSA-N Google Search
Mol Weight	410.49 g/mol
Molecular Formula	C21H22N4O3S
Exact Mass	410.141262 g/mol

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SpectraBase Spectrum ID	GzpNwvFWSST
Name	2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-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/C21H22N4O3S/c1-4-11-25-20(15-7-5-9-17(12-15)27-2)23-24-21(25)29-14-19(26)22-16-8-6-10-18(13-16)28-3/h4-10,12-13H,1,11,14H2,2-3H3,(H,22,26)
InChIKey	RUIWIQSMRJWMEB-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11123
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: E06120; Labnumber: GRES-16404; SBI_ID: SBI-011126
Temperature	306 °C