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2,2',2"-(1,3,5-Benzenetriyl)tris[5-(benzylimino)-4,5-dihydro-4-methyl-1,3,4-thiazole]
SpectraBase Compound ID KoMPlCo0ELl
InChI InChI=1S/C36H33N9S3/c1-43-34(37-22-25-13-7-4-8-14-25)46-31(40-43)28-19-29(32-41-44(2)35(47-32)38-23-26-15-9-5-10-16-26)21-30(20-28)33-42-45(3)36(48-33)39-24-27-17-11-6-12-18-27/h4-21H,22-24H2,1-3H3/b37-34-,38-35-,39-36+
InChIKey GATOTLKBQLNZAT-YATLTFAKSA-N
Mol Weight 687.9 g/mol
Molecular Formula C36H33N9S3
Exact Mass 687.202106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7B6flKJBmsN
Name 2,2',2"-(1,3,5-Benzenetriyl)tris[5-(benzylimino)-4,5-dihydro-4-methyl-1,3,4-thiazole]
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Formula C36H33N9S3
InChI InChI=1S/C36H33N9S3/c1-43-34(37-22-25-13-7-4-8-14-25)46-31(40-43)28-19-29(32-41-44(2)35(47-32)38-23-26-15-9-5-10-16-26)21-30(20-28)33-42-45(3)36(48-33)39-24-27-17-11-6-12-18-27/h4-21H,22-24H2,1-3H3/b37-34-,38-35-,39-36+
InChIKey GATOTLKBQLNZAT-YATLTFAKSA-N
Molecular Weight 687.903 g/mol
SMILES CN1\C(SC(=N1)c1cc(C=2S\C(=N/Cc3ccccc3)N(N2)C)cc(C=2S\C(=N/Cc3ccccc3)N(N2)C)c1)=N\Cc1ccccc1
SPLASH splash10-0006-9500100000-4771c4d997628b334c11
Source of Spectrum H1-36-1275-10
Synonyms 2,2',2''-(1,3,5-Benzenetriyl)tris[5-(benzylimino)-4,5-dihydro-4-methyl-1,3,4-thiadiazole]
Wiley ID 755358