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	AO1Mrrf9Iwm
Name	benzoic acid, 4-[[[[5-[[(4-chlorophenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	507.113188459 u
Formula	C25H22ClN5O3S
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
Molecular Weight	507.996 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_6151
Solvent	DMSO-d6
Source	Vendor ID: NMR/11221698; Lab Info: DEM; Lab Number: 0654