ethanone, 1-(4-chlorophenyl)-2-[[4-(2-methylphenyl)-5-[[(4-methylphenyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]-

SpectraBase Compound ID	EeDJzVj8Cs3
InChI	InChI=1S/C25H23ClN4OS/c1-17-7-13-21(14-8-17)27-15-24-28-29-25(30(24)22-6-4-3-5-18(22)2)32-16-23(31)19-9-11-20(26)12-10-19/h3-14,27H,15-16H2,1-2H3
InChIKey	NWJDQJSGOZHUMU-UHFFFAOYSA-N Google Search
Mol Weight	463.0 g/mol
Molecular Formula	C25H23ClN4OS
Exact Mass	462.12811 g/mol

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SpectraBase Spectrum ID	HdU3Uk4conS
Name	ethanone, 1-(4-chlorophenyl)-2-[[4-(2-methylphenyl)-5-[[(4-methylphenyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]-
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/C25H23ClN4OS/c1-17-7-13-21(14-8-17)27-15-24-28-29-25(30(24)22-6-4-3-5-18(22)2)32-16-23(31)19-9-11-20(26)12-10-19/h3-14,27H,15-16H2,1-2H3
InChIKey	NWJDQJSGOZHUMU-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_6856
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: NMR/10321063; Labnumber: DEM-0000180