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1H-benzimidazole, 2-[[[6-[(1H-benzimidazol-2-ylthio)methyl]-2-pyridinyl]methyl]thio]-
SpectraBase Compound ID HknxUZbTQF5
InChI InChI=1S/C21H17N5S2/c1-2-9-17-16(8-1)23-20(24-17)27-12-14-6-5-7-15(22-14)13-28-21-25-18-10-3-4-11-19(18)26-21/h1-11H,12-13H2,(H,23,24)(H,25,26)
InChIKey TYMDRIURLRAWCF-UHFFFAOYSA-N
Mol Weight 403.52 g/mol
Molecular Formula C21H17N5S2
Exact Mass 403.092538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Db2GiwwtRw0
Name 1H-Benzimidazole, 2-[[[6-[(1H-benzimidazol-2-ylthio)methyl]-2-pyridinyl]methyl]thio]-
CAS Registry Number 123771-22-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N5S2
InChI InChI=1S/C21H17N5S2/c1-2-9-17-16(8-1)23-20(24-17)27-12-14-6-5-7-15(22-14)13-28-21-25-18-10-3-4-11-19(18)26-21/h1-11H,12-13H2,(H,23,24)(H,25,26)
InChIKey TYMDRIURLRAWCF-UHFFFAOYSA-N
Molecular Weight 403.522 g/mol
SMILES [nH]1c2ccccc2nc1SCc1nc(CSc2nc3ccccc3[nH]2)ccc1
SPLASH splash10-0udi-6910000000-15c8fc969f2ebabd9dce
Source of Spectrum Y-26-542-2
Synonyms 2,6-bis(benzimidazol-2'-ylthiomethyl)pyridine 2-[({6-[(1H-benzimidazol-2-ylsulfanyl)ethyl]2-pyridinyl}methyl)sulfanyl]-1H-benzimidazole
Wiley ID 1370841