S-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl] 2-(4-chlorophenyl)ethanethioate

Systemtic Name: S-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl] 2-(4-chlorophenyl)ethanethioate Openeye Name: S-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl] 2-(4-chlorophenyl)ethanethioate CAS Name: 2-(4-chlorophenyl)ethanethioic acid S-[2-(1-imidazolyl)-1-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: S-[2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl] 2-(4-chlorophenyl)ethanethioate Traditional Name: 2-(4-chlorophenyl)ethanethioic acid S-(2-imidazol-1-yl-1-mesityl-ethyl) ester Formula: C22H23ClN2OS MolecularWeight: 398.94882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(CN2C=CN=C2)SC(=O)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(CN2C=CN=C2)SC(=O)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H23ClN2OS/c1-15-10-16(2)22(17(3)11-15)20(13-25-9-8-24-14-25)27-21(26)12-18-4-6-19(23)7-5-18/h4-11,14,20H,12-13H2,1-3H3