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

SpectraBase Compound ID	CC2EvYC9qot
InChI	InChI=1S/C24H18ClN5OS2/c25-17-7-9-18(10-8-17)32-15-21-19(14-27-13-16-4-3-11-26-12-16)23(31)30(29-21)24-28-20-5-1-2-6-22(20)33-24/h1-12,14,29H,13,15H2/b27-14+
InChIKey	FCRQVVDKUMAXDJ-MZJWZYIUSA-N Google Search
Mol Weight	492.02 g/mol
Molecular Formula	C24H18ClN5OS2
Exact Mass	491.06413 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	9q7dvrALLe8
Name	2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-((E)-{[(E)-3-pyridinylmethyl]imino}methyl)-1,2-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/C24H18ClN5OS2/c25-17-7-9-18(10-8-17)32-15-21-19(14-27-13-16-4-3-11-26-12-16)23(31)30(29-21)24-28-20-5-1-2-6-22(20)33-24/h1-12,14,29H,13,15H2/b27-14+
InChIKey	FCRQVVDKUMAXDJ-MZJWZYIUSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_357
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: 602309VOR8-8595; Labnumber: 602309VOR8-8595; VK_ID: VK-000358
Synonyms	2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[3-pyridinylmethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one
Temperature	313 °C