(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(5-chloro-2-hydroxyanilino)ethylidene]-5-propyl-2,4-dihydro-3H-pyrazol-3-one

SpectraBase Compound ID	FvMPnfK4b7s
InChI	InChI=1S/C21H19ClN4O2S/c1-3-6-15-19(12(2)23-16-11-13(22)9-10-17(16)27)20(28)26(25-15)21-24-14-7-4-5-8-18(14)29-21/h4-5,7-11,23,27H,3,6H2,1-2H3/b19-12+
InChIKey	PEPXYLIAIZYTIR-XDHOZWIPSA-N Google Search
Mol Weight	426.92 g/mol
Molecular Formula	C21H19ClN4O2S
Exact Mass	426.091725 g/mol

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SpectraBase Spectrum ID	9ztXr9GbP8b
Name	(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(5-chloro-2-hydroxyanilino)ethylidene]-5-propyl-2,4-dihydro-3H-pyrazol-3-one
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/C21H19ClN4O2S/c1-3-6-15-19(12(2)23-16-11-13(22)9-10-17(16)27)20(28)26(25-15)21-24-14-7-4-5-8-18(14)29-21/h4-5,7-11,23,27H,3,6H2,1-2H3/b19-12+
InChIKey	PEPXYLIAIZYTIR-XDHOZWIPSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_6844
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: 124426; Labnumber: VGU-09656; VK_ID: VK-006848
Synonyms	2-(1,3-benzothiazol-2-yl)-4-[1-(5-chloro-2-hydroxyanilino)ethylidene]-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Temperature	308 °C