2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(phenylmethyl)-1H-benzimidazol-3-ium

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(phenylmethyl)-1H-benzimidazol-3-ium Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-benzyl-1H-benzimidazol-3-ium CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-(phenylmethyl)-1H-benzimidazol-3-ium IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-benzyl-1H-benzimidazol-3-ium Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-benzyl-1H-benzimidazol-3-ium Formula: C22H19N4S+ MolecularWeight: 371.47806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H18N4S/c1-2-8-16(9-3-1)14-26-20-13-7-6-12-19(20)25-22(26)27-15-21-23-17-10-4-5-11-18(17)24-21/h1-13H,14-15H2,(H,23,24)/p+1