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

SpectraBase Compound ID	K1XsqWVHul5
InChI	InChI=1S/C22H21ClN4O2S2/c1-29-12-4-11-24-13-17-19(14-30-16-9-7-15(23)8-10-16)26-27(21(17)28)22-25-18-5-2-3-6-20(18)31-22/h2-3,5-10,13,24H,4,11-12,14H2,1H3/b17-13+
InChIKey	DBCGDULFCPOEDG-GHRIWEEISA-N Google Search
Mol Weight	473.01 g/mol
Molecular Formula	C22H21ClN4O2S2
Exact Mass	472.079446 g/mol

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SpectraBase Spectrum ID	LJvFmpSrXRc
Name	(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(3-methoxypropyl)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/C22H21ClN4O2S2/c1-29-12-4-11-24-13-17-19(14-30-16-9-7-15(23)8-10-16)26-27(21(17)28)22-25-18-5-2-3-6-20(18)31-22/h2-3,5-10,13,24H,4,11-12,14H2,1H3/b17-13+
InChIKey	DBCGDULFCPOEDG-GHRIWEEISA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_8117
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/9023499; UBI_ID: UBI-008120
Synonyms	2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(3-methoxypropyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
Temperature	308 °C