2-(4-methylphenyl)-4-methylsulfanyl-5-(phenylsulfonyl)-1H-imidazol-3-ium

Systemtic Name: 2-(4-methylphenyl)-4-methylsulfanyl-5-(phenylsulfonyl)-1H-imidazol-3-ium Openeye Name: 5-(benzenesulfonyl)-4-methylsulfanyl-2-(p-tolyl)-1H-imidazol-3-ium CAS Name: 5-(benzenesulfonyl)-2-(4-methylphenyl)-4-(methylthio)-1H-imidazol-3-ium IUPAC Name: 5-(benzenesulfonyl)-2-(4-methylphenyl)-4-methylsulfanyl-1H-imidazol-3-ium Traditional Name: 5-besyl-4-(methylthio)-2-(p-tolyl)-1H-imidazol-3-ium Formula: C17H17N2O2S2+ MolecularWeight: 345.45908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[NH+]C(=C(N2)S(=O)(=O)C3=CC=CC=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=[NH+]C(=C(N2)S(=O)(=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C17H16N2O2S2/c1-12-8-10-13(11-9-12)15-18-16(22-2)17(19-15)23(20,21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,18,19)/p+1