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3-((5-acetyl-3-(4'-(5-acetyl-2-((3-oxoindolin-2-ylidene)hydrazono)-1,3,4-thiadiazol-3(2H)-yl)-[1,1'-biphenyl]-4-yl)-1,3,4-thiadiazol-2(3H)-ylidene)hydrazono)indolin-2-one
SpectraBase Compound ID BXsVDqD565h
InChI InChI=1S/C36H24N10O4S2/c1-19(47)33-43-45(35(51-33)41-39-29-25-7-3-5-9-27(25)37-31(29)49)23-15-11-21(12-16-23)22-13-17-24(18-14-22)46-36(52-34(44-46)20(2)48)42-40-30-26-8-4-6-10-28(26)38-32(30)50/h3-18H,1-2H3,(H,37,39,49)(H,38,40,50)
InChIKey CQHRGRBWWZUOES-UHFFFAOYSA-N
Mol Weight 724.8 g/mol
Molecular Formula C36H24N10O4S2
Exact Mass 724.142342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2fkZUdWhsL
Name 3-((5-acetyl-3-(4'-(5-acetyl-2-((3-oxoindolin-2-ylidene)hydrazono)-1,3,4-thiadiazol-3(2H)-yl)-[1,1'-biphenyl]-4-yl)-1,3,4-thiadiazol-2(3H)-ylidene)hydrazono)indolin-2-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H24N10O4S2
InChI InChI=1S/C36H24N10O4S2/c1-19(47)33-43-45(35(51-33)41-39-29-25-7-3-5-9-27(25)37-31(29)49)23-15-11-21(12-16-23)22-13-17-24(18-14-22)46-36(52-34(44-46)20(2)48)42-40-30-26-8-4-6-10-28(26)38-32(30)50/h3-18H,1-2H3,(H,37,39,49)(H,38,40,50)
InChIKey CQHRGRBWWZUOES-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3108
Molecular Weight 724.774 g/mol
SMILES N1c2c(C(=NN=C3SC(=NN3c3ccc(-c4ccc(N5N=C(SC5=NN=C5c6c(cccc6)NC5=O)C(=O)C)cc4)cc3)C(=O)C)C1=O)cccc2
SPLASH splash10-014l-3920120000-84014e9d20c2a65cac0f
Source of Spectrum Y-55-850-9e
Wiley ID 1879107