ethyl (5Z)-5-{[2-({2-[((2Z)-5-(ethoxycarbonyl)-3-(4-methylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene)amino]phenyl}disulfanyl)phenyl]imino}-4-(4-methylphenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate

SpectraBase Compound ID	2mDSzllCC7Z
InChI	InChI=1S/C36H32N6O4S4/c1-5-45-33(43)31-39-41(25-19-15-23(3)16-20-25)35(47-31)37-27-11-7-9-13-29(27)49-50-30-14-10-8-12-28(30)38-36-42(26-21-17-24(4)18-22-26)40-32(48-36)34(44)46-6-2/h7-22H,5-6H2,1-4H3/b37-35-,38-36-
InChIKey	IJGWLSCKEIBZHC-JXPYRENWSA-N Google Search
Mol Weight	740.9 g/mol
Molecular Formula	C36H32N6O4S4
Exact Mass	740.136788 g/mol

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SpectraBase Spectrum ID	BX2sD7txgSp
Name	ethyl (5Z)-5-{[2-({2-[((2Z)-5-(ethoxycarbonyl)-3-(4-methylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene)amino]phenyl}disulfanyl)phenyl]imino}-4-(4-methylphenyl)-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/C36H32N6O4S4/c1-5-45-33(43)31-39-41(25-19-15-23(3)16-20-25)35(47-31)37-27-11-7-9-13-29(27)49-50-30-14-10-8-12-28(30)38-36-42(26-21-17-24(4)18-22-26)40-32(48-36)34(44)46-6-2/h7-22H,5-6H2,1-4H3/b37-35-,38-36-
InChIKey	IJGWLSCKEIBZHC-JXPYRENWSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6188
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/11242569; Labnumber: LP-0302503; IOH_ID: IOH-006189
Synonyms	ethyl 5-{[2-({2-[(5-(ethoxycarbonyl)-3-(4-methylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene)amino]phenyl}disulfanyl)phenyl]imino}-4-(4-methylphenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate