(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[3-(4-morpholinyl)propyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one

SpectraBase Compound ID	JZmYkXFNCmS
InChI	InChI=1S/C25H26ClN5O2S2/c26-18-6-8-19(9-7-18)34-17-22-20(16-27-10-3-11-30-12-14-33-15-13-30)24(32)31(29-22)25-28-21-4-1-2-5-23(21)35-25/h1-2,4-9,16,27H,3,10-15,17H2/b20-16+
InChIKey	ZITWASAHUMFYAQ-CAPFRKAQSA-N Google Search
Mol Weight	528.09 g/mol
Molecular Formula	C25H26ClN5O2S2
Exact Mass	527.121645 g/mol

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SpectraBase Spectrum ID	6ycdj5WyA9D
Name	(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[3-(4-morpholinyl)propyl]amino}methylene)-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/C25H26ClN5O2S2/c26-18-6-8-19(9-7-18)34-17-22-20(16-27-10-3-11-30-12-14-33-15-13-30)24(32)31(29-22)25-28-21-4-1-2-5-23(21)35-25/h1-2,4-9,16,27H,3,10-15,17H2/b20-16+
InChIKey	ZITWASAHUMFYAQ-CAPFRKAQSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_7839
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: UZI/9018763; UBI_ID: UBI-007842
Synonyms	2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[3-(4-morpholinyl)propyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one
Temperature	308 °C