3-thiophenecarboxylic acid, 5-phenyl-2-[[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetyl]amino]-, methyl ester

SpectraBase Compound ID	3GSt71TAR1I
InChI	InChI=1S/C20H16N4O3S2/c1-27-19(26)14-11-15(13-7-3-2-4-8-13)29-18(14)21-17(25)12-28-20-23-22-16-9-5-6-10-24(16)20/h2-11H,12H2,1H3,(H,21,25)
InChIKey	HFNUYISANGUMJL-UHFFFAOYSA-N Google Search
Mol Weight	424.49 g/mol
Molecular Formula	C20H16N4O3S2
Exact Mass	424.066383 g/mol

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SpectraBase Spectrum ID	90wijjLR4IL
Name	3-thiophenecarboxylic acid, 5-phenyl-2-[[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)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/C20H16N4O3S2/c1-27-19(26)14-11-15(13-7-3-2-4-8-13)29-18(14)21-17(25)12-28-20-23-22-16-9-5-6-10-24(16)20/h2-11H,12H2,1H3,(H,21,25)
InChIKey	HFNUYISANGUMJL-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_1013
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/11228732