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

SpectraBase Compound ID	37dTztCAGVJ
InChI	InChI=1S/C20H20N4O3S/c1-13-3-5-14(6-4-13)19-22-23-20(24(19)2)28-12-18(25)21-15-7-8-16-17(11-15)27-10-9-26-16/h3-8,11H,9-10,12H2,1-2H3,(H,21,25)
InChIKey	YCTJJHAQDLQNRF-UHFFFAOYSA-N Google Search
Mol Weight	396.47 g/mol
Molecular Formula	C20H20N4O3S
Exact Mass	396.125612 g/mol

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SpectraBase Spectrum ID	BJVcVpq4bQA
Name	N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C20H20N4O3S/c1-13-3-5-14(6-4-13)19-22-23-20(24(19)2)28-12-18(25)21-15-7-8-16-17(11-15)27-10-9-26-16/h3-8,11H,9-10,12H2,1-2H3,(H,21,25)
InChIKey	YCTJJHAQDLQNRF-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4317
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: D98807; Labnumber: GRES-26585; SBI_ID: SBI-004319
Temperature	306 °C