3-cyclohexyl-2-(3-naphthalen-2-ylsulfonylprop-2-enylsulfanyl)-1H-benzimidazol-3-ium

Systemtic Name: 3-cyclohexyl-2-(3-naphthalen-2-ylsulfonylprop-2-enylsulfanyl)-1H-benzimidazol-3-ium Openeye Name: 3-cyclohexyl-2-[3-(2-naphthylsulfonyl)allylsulfanyl]-1H-benzimidazol-3-ium CAS Name: 3-cyclohexyl-2-[3-(2-naphthalenylsulfonyl)prop-2-enylthio]-1H-benzimidazol-3-ium IUPAC Name: 3-cyclohexyl-2-(3-naphthalen-2-ylsulfonylprop-2-enylsulfanyl)-1H-benzimidazol-3-ium Traditional Name: 3-cyclohexyl-2-[3-(2-naphthylsulfonyl)allylthio]-1H-benzimidazol-3-ium Formula: C26H27N2O2S2+ MolecularWeight: 463.63478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2=C(NC3=CC=CC=C32)SCC=CS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(CC1)[N+]2=C(NC3=CC=CC=C32)SCC=CS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H26N2O2S2/c29-32(30,23-16-15-20-9-4-5-10-21(20)19-23)18-8-17-31-26-27-24-13-6-7-14-25(24)28(26)22-11-2-1-3-12-22/h4-10,13-16,18-19,22H,1-3,11-12,17H2/p+1