2-[[6-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[6-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[6-(1H-benzimidazol-2-ylsulfanylmethyl)-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[6-[(1H-benzimidazol-2-ylthio)methyl]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[6-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[6-[(1H-benzimidazol-2-ylthio)methyl]-2-pyridyl]methylthio]-1H-benzimidazole Formula: C21H17N5S2 MolecularWeight: 403.52318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=NC(=CC=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=NC(=CC=C3)CSC4=NC5=CC=CC=C5N4

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)