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

Systemtic Name: 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-1H-imidazol-3-ium-4-thiol Openeye Name: 2-(4-methoxyphenyl)-5-(p-tolylsulfonyl)-1H-imidazol-3-ium-4-thiol CAS Name: 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-1H-imidazol-3-ium-4-thiol IUPAC Name: 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-1H-imidazol-3-ium-4-thiol Traditional Name: 2-(4-methoxyphenyl)-5-tosyl-1H-imidazol-3-ium-4-thiol Formula: C17H17N2O3S2+ MolecularWeight: 361.45848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S2/c1-11-3-9-14(10-4-11)24(20,21)17-16(23)18-15(19-17)12-5-7-13(22-2)8-6-12/h3-10,23H,1-2H3,(H,18,19)/p+1