(4E)-2-(1,3-benzothiazol-2-yl)-4-[(heptylamino)methylene]-5-propyl-2,4-dihydro-3H-pyrazol-3-one

SpectraBase Compound ID	3kq2qYyHja3
InChI	InChI=1S/C21H28N4OS/c1-3-5-6-7-10-14-22-15-16-17(11-4-2)24-25(20(16)26)21-23-18-12-8-9-13-19(18)27-21/h8-9,12-13,15,22H,3-7,10-11,14H2,1-2H3/b16-15+
InChIKey	GPLSSORTMBZFPW-FOCLMDBBSA-N Google Search
Mol Weight	384.54 g/mol
Molecular Formula	C21H28N4OS
Exact Mass	384.198383 g/mol

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SpectraBase Spectrum ID	ANsA7Ig01fw
Name	(4E)-2-(1,3-benzothiazol-2-yl)-4-[(heptylamino)methylene]-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/C21H28N4OS/c1-3-5-6-7-10-14-22-15-16-17(11-4-2)24-25(20(16)26)21-23-18-12-8-9-13-19(18)27-21/h8-9,12-13,15,22H,3-7,10-11,14H2,1-2H3/b16-15+
InChIKey	GPLSSORTMBZFPW-FOCLMDBBSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16593
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/8145577; UBI_ID: UBI-016596
Synonyms	2-(1,3-benzothiazol-2-yl)-4-[(heptylamino)methylene]-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Temperature	308 °C