(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

SpectraBase Compound ID	IuA9cFoRccl
InChI	InChI=1S/C22H22N4O2S/c1-14(23-13-12-16-8-10-17(28-3)11-9-16)20-15(2)25-26(21(20)27)22-24-18-6-4-5-7-19(18)29-22/h4-11,23H,12-13H2,1-3H3/b20-14+
InChIKey	IKALBYYEIUVONQ-XSFVSMFZSA-N Google Search
Mol Weight	406.5 g/mol
Molecular Formula	C22H22N4O2S
Exact Mass	406.146347 g/mol

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SpectraBase Spectrum ID	2aCeMxoc0QA
Name	(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-methyl-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/C22H22N4O2S/c1-14(23-13-12-16-8-10-17(28-3)11-9-16)20-15(2)25-26(21(20)27)22-24-18-6-4-5-7-19(18)29-22/h4-11,23H,12-13H2,1-3H3/b20-14+
InChIKey	IKALBYYEIUVONQ-XSFVSMFZSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11684
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: E09254; Labnumber: VGU-23129; SBI_ID: SBI-011687
Synonyms	2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-methoxyphenyl)ethyl]amino}ethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Temperature	318 °C