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

SpectraBase Compound ID	2EaNIV66rHU
InChI	InChI=1S/C25H20N4O3S2/c1-15-12-20-27-28-25(29(20)19-11-7-6-10-17(15)19)34-14-21(30)26-23-22(24(31)32-2)18(13-33-23)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H,26,30)
InChIKey	FITLOOMCTGLBMX-UHFFFAOYSA-N Google Search
Mol Weight	488.58 g/mol
Molecular Formula	C25H20N4O3S2
Exact Mass	488.097683 g/mol

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SpectraBase Spectrum ID	CquW98tobUW
Name	3-thiophenecarboxylic acid, 2-[[[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]-4-phenyl-, 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/C25H20N4O3S2/c1-15-12-20-27-28-25(29(20)19-11-7-6-10-17(15)19)34-14-21(30)26-23-22(24(31)32-2)18(13-33-23)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H,26,30)
InChIKey	FITLOOMCTGLBMX-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_449
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/11228079