S-[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl] 4-methylbenzenecarbothioate

Systemtic Name: S-[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl] 4-methylbenzenecarbothioate Openeye Name: S-[2-phenyl-5-(p-tolylsulfonyl)-1H-imidazol-4-yl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl] ester IUPAC Name: S-[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-(2-phenyl-5-tosyl-1H-imidazol-4-yl) ester Formula: C24H20N2O3S2 MolecularWeight: 448.5572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=C(NC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=C(NC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

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