ethanone, 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b]benzothiazol-3-ylthio)-

SpectraBase Compound ID	AWmpYxadtYL
InChI	InChI=1S/C22H17ClN4OS2/c1-13-11-17(14(2)26(13)16-9-7-15(23)8-10-16)19(28)12-29-21-24-25-22-27(21)18-5-3-4-6-20(18)30-22/h3-11H,12H2,1-2H3
InChIKey	LPMABXMWTRNFLV-UHFFFAOYSA-N Google Search
Mol Weight	452.98 g/mol
Molecular Formula	C22H17ClN4OS2
Exact Mass	452.053231 g/mol

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SpectraBase Spectrum ID	AK4798qROov
Name	ethanone, 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b]benzothiazol-3-ylthio)-
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/C22H17ClN4OS2/c1-13-11-17(14(2)26(13)16-9-7-15(23)8-10-16)19(28)12-29-21-24-25-22-27(21)18-5-3-4-6-20(18)30-22/h3-11H,12H2,1-2H3
InChIKey	LPMABXMWTRNFLV-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_960
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/11228670