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

SpectraBase Compound ID	Cy4TWK22Iny
InChI	InChI=1S/C25H22ClN5O3S/c1-34-24(33)17-7-11-20(12-8-17)28-23(32)16-35-25-30-29-22(31(25)21-5-3-2-4-6-21)15-27-19-13-9-18(26)10-14-19/h2-14,27H,15-16H2,1H3,(H,28,32)
InChIKey	PRPUGCAANGDOIV-UHFFFAOYSA-N Google Search
Mol Weight	508.0 g/mol
Molecular Formula	C25H22ClN5O3S
Exact Mass	507.113188 g/mol

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SpectraBase Spectrum ID	9G9cM0XgmT3
Name	methyl 4-{[({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
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/C25H22ClN5O3S/c1-34-24(33)17-7-11-20(12-8-17)28-23(32)16-35-25-30-29-22(31(25)21-5-3-2-4-6-21)15-27-19-13-9-18(26)10-14-19/h2-14,27H,15-16H2,1H3,(H,28,32)
InChIKey	PRPUGCAANGDOIV-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_5499
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/11221698; Labnumber: 0654; IOH_ID: IOH-005500