(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(4-methyl-1-piperazinyl)amino]methylene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

SpectraBase Compound ID	Aijr0Hu9uaL
InChI	InChI=1S/C22H22N6OS/c1-26-11-13-27(14-12-26)23-15-17-20(16-7-3-2-4-8-16)25-28(21(17)29)22-24-18-9-5-6-10-19(18)30-22/h2-10,15,23H,11-14H2,1H3/b17-15+
InChIKey	JNFYFZAXIFVYMM-BMRADRMJSA-N Google Search
Mol Weight	418.52 g/mol
Molecular Formula	C22H22N6OS
Exact Mass	418.157581 g/mol

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SpectraBase Spectrum ID	2TbnJUJskMg
Name	(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(4-methyl-1-piperazinyl)amino]methylene}-5-phenyl-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/C22H22N6OS/c1-26-11-13-27(14-12-26)23-15-17-20(16-7-3-2-4-8-16)25-28(21(17)29)22-24-18-9-5-6-10-19(18)30-22/h2-10,15,23H,11-14H2,1H3/b17-15+
InChIKey	JNFYFZAXIFVYMM-BMRADRMJSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_230
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	ACETONE-d6
Source File Reference	VendorID: 602024VOR7-0749; Labnumber: 602024VOR7-0749; VK_ID: VK-000231
Synonyms	2-(1,3-benzothiazol-2-yl)-4-{[(4-methyl-1-piperazinyl)amino]methylene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Temperature	308 °C