benzoic acid, 4-[[[[4-(2,5-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester

SpectraBase Compound ID	7FR2TEi9pt9
InChI	InChI=1S/C26H24N4O3S/c1-17-9-10-18(2)22(15-17)30-24(19-7-5-4-6-8-19)28-29-26(30)34-16-23(31)27-21-13-11-20(12-14-21)25(32)33-3/h4-15H,16H2,1-3H3,(H,27,31)
InChIKey	HBRZSYSOWZZOOG-UHFFFAOYSA-N Google Search
Mol Weight	472.56 g/mol
Molecular Formula	C26H24N4O3S
Exact Mass	472.156912 g/mol

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SpectraBase Spectrum ID	H5pNeHgs83N
Name	benzoic acid, 4-[[[[4-(2,5-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester
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/C26H24N4O3S/c1-17-9-10-18(2)22(15-17)30-24(19-7-5-4-6-8-19)28-29-26(30)34-16-23(31)27-21-13-11-20(12-14-21)25(32)33-3/h4-15H,16H2,1-3H3,(H,27,31)
InChIKey	HBRZSYSOWZZOOG-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_265
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/11252044; Labnumber: DEM-01041002