S-[2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-1H-imidazol-4-yl] 4-chloranylbenzenecarbothioate

Systemtic Name: S-[2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-1H-imidazol-4-yl] 4-chloranylbenzenecarbothioate Openeye Name: S-[2-(4-methoxyphenyl)-5-(p-tolylsulfonyl)-1H-imidazol-4-yl] 4-chlorobenzenecarbothioate CAS Name: 4-chlorobenzenecarbothioic acid S-[2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-1H-imidazol-4-yl] ester IUPAC Name: S-[2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-1H-imidazol-4-yl] 4-chlorobenzenecarbothioate Traditional Name: 4-chlorothiobenzoic acid S-[2-(4-methoxyphenyl)-5-tosyl-1H-imidazol-4-yl] ester Formula: C24H19ClN2O4S2 MolecularWeight: 499.00166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(N2)C3=CC=C(C=C3)OC)SC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(N2)C3=CC=C(C=C3)OC)SC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H19ClN2O4S2/c1-15-3-13-20(14-4-15)33(29,30)23-22(32-24(28)17-5-9-18(25)10-6-17)26-21(27-23)16-7-11-19(31-2)12-8-16/h3-14H,1-2H3,(H,26,27)