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

SpectraBase Compound ID	3kWSA7FxuVx
InChI	InChI=1S/C25H21ClN4O3S/c1-16-3-2-4-17(13-16)24-28-29-25(30(24)20-8-5-18(26)6-9-20)34-15-23(31)27-19-7-10-21-22(14-19)33-12-11-32-21/h2-10,13-14H,11-12,15H2,1H3,(H,27,31)
InChIKey	QXMFGGBSHTURSH-UHFFFAOYSA-N Google Search
Mol Weight	492.98 g/mol
Molecular Formula	C25H21ClN4O3S
Exact Mass	492.102289 g/mol

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SpectraBase Spectrum ID	6nGQk0Qnisr
Name	2-{[4-(4-chlorophenyl)-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/C25H21ClN4O3S/c1-16-3-2-4-17(13-16)24-28-29-25(30(24)20-8-5-18(26)6-9-20)34-15-23(31)27-19-7-10-21-22(14-19)33-12-11-32-21/h2-10,13-14H,11-12,15H2,1H3,(H,27,31)
InChIKey	QXMFGGBSHTURSH-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11256
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: E06543; Labnumber: GRES-24427; SBI_ID: SBI-011259
Temperature	315 °C