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

Systemtic Name: 2-(4-methylphenyl)-5-(phenylsulfonyl)-1H-imidazol-3-ium-4-thiol Openeye Name: 5-(benzenesulfonyl)-2-(p-tolyl)-1H-imidazol-3-ium-4-thiol CAS Name: 5-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-3-ium-4-thiol IUPAC Name: 5-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-3-ium-4-thiol Traditional Name: 5-besyl-2-(p-tolyl)-1H-imidazol-3-ium-4-thiol Formula: C16H15N2O2S2+ MolecularWeight: 331.4325

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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)S

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O2S2/c1-11-7-9-12(10-8-11)14-17-15(21)16(18-14)22(19,20)13-5-3-2-4-6-13/h2-10,21H,1H3,(H,17,18)/p+1