N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

SpectraBase Compound ID	KjZIjqbkq2u
InChI	InChI=1S/C25H22N4O4S/c1-16-4-3-5-17(12-16)24-27-28-25(29(24)19-7-9-20(31-2)10-8-19)34-14-23(30)26-18-6-11-21-22(13-18)33-15-32-21/h3-13H,14-15H2,1-2H3,(H,26,30)
InChIKey	HMKNEYRODIUKFY-UHFFFAOYSA-N Google Search
Mol Weight	474.54 g/mol
Molecular Formula	C25H22N4O4S
Exact Mass	474.136176 g/mol

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SpectraBase Spectrum ID	7bEUtxdz2FX
Name	N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methoxyphenyl)-5-(3-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/C25H22N4O4S/c1-16-4-3-5-17(12-16)24-27-28-25(29(24)19-7-9-20(31-2)10-8-19)34-14-23(30)26-18-6-11-21-22(13-18)33-15-32-21/h3-13H,14-15H2,1-2H3,(H,26,30)
InChIKey	HMKNEYRODIUKFY-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11329
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: E06636; Labnumber: GRES-26518; SBI_ID: SBI-011332
Temperature	308 °C