1-methyl-2-phenyl-3-(phenylsulfanylmethyl)benzimidazol-1-ium

Systemtic Name: 1-methyl-2-phenyl-3-(phenylsulfanylmethyl)benzimidazol-1-ium Openeye Name: 1-methyl-2-phenyl-3-(phenylsulfanylmethyl)benzimidazol-1-ium CAS Name: 1-methyl-2-phenyl-3-[(phenylthio)methyl]benzimidazol-1-ium IUPAC Name: 1-methyl-2-phenyl-3-(phenylsulfanylmethyl)benzimidazol-1-ium Traditional Name: 1-methyl-2-phenyl-3-[(phenylthio)methyl]benzimidazol-1-ium Formula: C21H19N2S+ MolecularWeight: 331.45396

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CSC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CSC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N2S/c1-22-19-14-8-9-15-20(19)23(16-24-18-12-6-3-7-13-18)21(22)17-10-4-2-5-11-17/h2-15H,16H2,1H3/q+1