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

SpectraBase Compound ID	2CdxIoIf7h4
InChI	InChI=1S/C21H19ClN4O3S/c1-2-9-26-20(14-3-5-15(22)6-4-14)24-25-21(26)30-13-19(27)23-16-7-8-17-18(12-16)29-11-10-28-17/h2-8,12H,1,9-11,13H2,(H,23,27)
InChIKey	LYHAQTFGUWGJTA-UHFFFAOYSA-N Google Search
Mol Weight	442.92 g/mol
Molecular Formula	C21H19ClN4O3S
Exact Mass	442.086639 g/mol

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SpectraBase Spectrum ID	Awt8RxRpe0R
Name	2-{[4-allyl-5-(4-chlorophenyl)-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/C21H19ClN4O3S/c1-2-9-26-20(14-3-5-15(22)6-4-14)24-25-21(26)30-13-19(27)23-16-7-8-17-18(12-16)29-11-10-28-17/h2-8,12H,1,9-11,13H2,(H,23,27)
InChIKey	LYHAQTFGUWGJTA-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4420
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: D98981; Labnumber: GRES-29547; SBI_ID: SBI-004422
Temperature	308 °C