S-[2-(4-methylphenyl)-5-(phenylsulfonyl)-1H-imidazol-3-ium-4-yl] 4-methylbenzenecarbothioate

Systemtic Name: S-[2-(4-methylphenyl)-5-(phenylsulfonyl)-1H-imidazol-3-ium-4-yl] 4-methylbenzenecarbothioate Openeye Name: S-[5-(benzenesulfonyl)-2-(p-tolyl)-1H-imidazol-3-ium-4-yl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[5-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-3-ium-4-yl] ester IUPAC Name: S-[5-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-3-ium-4-yl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[5-besyl-2-(p-tolyl)-1H-imidazol-3-ium-4-yl] ester Formula: C24H21N2O3S2+ MolecularWeight: 449.56514

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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(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=[NH+]C(=C(N2)S(=O)(=O)C3=CC=CC=C3)SC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H20N2O3S2/c1-16-8-12-18(13-9-16)21-25-22(30-24(27)19-14-10-17(2)11-15-19)23(26-21)31(28,29)20-6-4-3-5-7-20/h3-15H,1-2H3,(H,25,26)/p+1