2-{[4-allyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

SpectraBase Compound ID	1DJpdxwjUpB
InChI	InChI=1S/C22H22N4O3S/c1-3-9-26-21(16-6-4-5-15(2)12-16)24-25-22(26)30-14-20(27)23-17-7-8-18-19(13-17)29-11-10-28-18/h3-8,12-13H,1,9-11,14H2,2H3,(H,23,27)
InChIKey	OLXSPIYZRNJPFN-UHFFFAOYSA-N Google Search
Mol Weight	422.5 g/mol
Molecular Formula	C22H22N4O3S
Exact Mass	422.141262 g/mol

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SpectraBase Spectrum ID	IqWqYoe8lVK
Name	2-{[4-allyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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/C22H22N4O3S/c1-3-9-26-21(16-6-4-5-15(2)12-16)24-25-22(26)30-14-20(27)23-17-7-8-18-19(13-17)29-11-10-28-18/h3-8,12-13H,1,9-11,14H2,2H3,(H,23,27)
InChIKey	OLXSPIYZRNJPFN-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11538
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: E06468; Labnumber: GRES-23038; SBI_ID: SBI-011541
Temperature	318 °C