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

SpectraBase Compound ID	33K09XOZFTv
InChI	InChI=1S/C21H22N4O4S/c1-3-25-20(14-4-7-16(27-2)8-5-14)23-24-21(25)30-13-19(26)22-15-6-9-17-18(12-15)29-11-10-28-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,26)
InChIKey	DUOPYCCYGKNCSW-UHFFFAOYSA-N Google Search
Mol Weight	426.49 g/mol
Molecular Formula	C21H22N4O4S
Exact Mass	426.136176 g/mol

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SpectraBase Spectrum ID	BbzDGm32JQk
Name	N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-ethyl-5-(4-methoxyphenyl)-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/C21H22N4O4S/c1-3-25-20(14-4-7-16(27-2)8-5-14)23-24-21(25)30-13-19(26)22-15-6-9-17-18(12-15)29-11-10-28-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,26)
InChIKey	DUOPYCCYGKNCSW-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14407
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: D98395; Labnumber: GRES-20417; SBI_ID: SBI-014410
Temperature	308 °C