BIS-[2-(3-PARA-BROMOPHENYL-5-METHOXYCARBONYL-1,3,4-THIADIAZOL-2-YLIDENEAMINO)-PHENYL]-DISULFIDE

SpectraBase Compound ID	LCsZeEQsXPG
InChI	InChI=1S/C32H22Br2N6O4S4/c1-43-29(41)27-37-39(21-15-11-19(33)12-16-21)31(45-27)35-23-7-3-5-9-25(23)47-48-26-10-6-4-8-24(26)36-32-40(22-17-13-20(34)14-18-22)38-28(46-32)30(42)44-2/h3-18H,1-2H3/b35-31-,36-32-
InChIKey	ZKBSSMFOGQTNNW-XGHKFRFXSA-N Google Search
Mol Weight	842.6 g/mol
Molecular Formula	C32H22Br2N6O4S4
Exact Mass	839.895214 g/mol

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SpectraBase Spectrum ID	PBaomlUBkG
Name	methyl (5Z)-4-(4-bromophenyl)-5-{[2-({2-[((2Z)-3-(4-bromophenyl)-5-(methoxycarbonyl)-1,3,4-thiadiazol-2(3H)-ylidene)amino]phenyl}disulfanyl)phenyl]imino}-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
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/C32H22Br2N6O4S4/c1-43-29(41)27-37-39(21-15-11-19(33)12-16-21)31(45-27)35-23-7-3-5-9-25(23)47-48-26-10-6-4-8-24(26)36-32-40(22-17-13-20(34)14-18-22)38-28(46-32)30(42)44-2/h3-18H,1-2H3/b35-31-,36-32-
InChIKey	ZKBSSMFOGQTNNW-XGHKFRFXSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6183
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: NMR/11242562; Labnumber: LP-0302492; IOH_ID: IOH-006184
Synonyms	methyl 4-(4-bromophenyl)-5-{[2-({2-[(3-(4-bromophenyl)-5-(methoxycarbonyl)-1,3,4-thiadiazol-2(3H)-ylidene)amino]phenyl}disulfanyl)phenyl]imino}-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate