2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-methylsulfonylphenyl)ethanone

Systemtic Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-methylsulfonylphenyl)ethanone Openeye Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-methylsulfonylphenyl)ethanone CAS Name: 2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-methylsulfonylphenyl)ethanone Traditional Name: 2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]-1-(4-mesylphenyl)ethanone Formula: C20H20N2O3S2 MolecularWeight: 400.5144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C20H20N2O3S2/c1-14-10-15(2)12-17(11-14)22-9-8-21-20(22)26-13-19(23)16-4-6-18(7-5-16)27(3,24)25/h4-12H,13H2,1-3H3