2-[[3-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[3-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]phenyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]benzyl]thio]-1H-benzimidazole Formula: C22H18N4S2 MolecularWeight: 402.53512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4S2/c1-2-9-18-17(8-1)23-21(24-18)27-13-15-6-5-7-16(12-15)14-28-22-25-19-10-3-4-11-20(19)26-22/h1-12H,13-14H2,(H,23,24)(H,25,26)