2-[(6-{[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide

SpectraBase Compound ID	9oJQwWvwmD6
InChI	InChI=1S/C27H21Br2N5O3S2/c1-15-24(26(37)34(33(15)2)19-6-4-3-5-7-19)32-23(35)14-38-27-31-21-9-8-18(12-22(21)39-27)30-13-16-10-17(28)11-20(29)25(16)36/h3-13,36H,14H2,1-2H3,(H,32,35)/b30-13+
InChIKey	HDMDOHVMZRLQGK-VVEOGCPPSA-N Google Search
Mol Weight	687.42 g/mol
Molecular Formula	C27H21Br2N5O3S2
Exact Mass	684.945258 g/mol

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SpectraBase Spectrum ID	8TzHfxbIRtl
Name	2-[(6-{[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
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/C27H21Br2N5O3S2/c1-15-24(26(37)34(33(15)2)19-6-4-3-5-7-19)32-23(35)14-38-27-31-21-9-8-18(12-22(21)39-27)30-13-16-10-17(28)11-20(29)25(16)36/h3-13,36H,14H2,1-2H3,(H,32,35)/b30-13+
InChIKey	HDMDOHVMZRLQGK-VVEOGCPPSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_ASIOH_7000_3643
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: ZI/7049119; Labnumber: LP-0601914; IOH_ID: IOH-003644
Synonyms	2-[(6-{[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
Temperature	303 °C