(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(1H-imidazol-1-yl)propyl]amino}propylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

SpectraBase Compound ID	58OOzRuQWol
InChI	InChI=1S/C20H19F3N6OS/c1-2-13(25-8-5-10-28-11-9-24-12-28)16-17(20(21,22)23)27-29(18(16)30)19-26-14-6-3-4-7-15(14)31-19/h3-4,6-7,9,11-12,25H,2,5,8,10H2,1H3/b16-13+
InChIKey	BBPBHEXIFQRXET-DTQAZKPQSA-N Google Search
Mol Weight	448.47 g/mol
Molecular Formula	C20H19F3N6OS
Exact Mass	448.129315 g/mol

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SpectraBase Spectrum ID	3Ifr36nm7mG
Name	(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(1H-imidazol-1-yl)propyl]amino}propylidene)-5-(trifluoromethyl)-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/C20H19F3N6OS/c1-2-13(25-8-5-10-28-11-9-24-12-28)16-17(20(21,22)23)27-29(18(16)30)19-26-14-6-3-4-7-15(14)31-19/h3-4,6-7,9,11-12,25H,2,5,8,10H2,1H3/b16-13+
InChIKey	BBPBHEXIFQRXET-DTQAZKPQSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_20963
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/9028929; Labnumber: vgy-0009183; UZI_ID: UZI-020971
Synonyms	2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(1H-imidazol-1-yl)propyl]amino}propylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature	318 °C