1-[2-(4-tert-butylsulfonylphenyl)-2-(3,4-dichlorophenyl)sulfanyl-ethyl]imidazole

Systemtic Name: 1-[2-(4-tert-butylsulfonylphenyl)-2-(3,4-dichlorophenyl)sulfanyl-ethyl]imidazole Openeye Name: 1-[2-(4-tert-butylsulfonylphenyl)-2-(3,4-dichlorophenyl)sulfanyl-ethyl]imidazole CAS Name: 1-[2-(4-tert-butylsulfonylphenyl)-2-[(3,4-dichlorophenyl)thio]ethyl]imidazole IUPAC Name: 1-[2-(4-tert-butylsulfonylphenyl)-2-(3,4-dichlorophenyl)sulfanylethyl]imidazole Traditional Name: 1-[2-(4-tert-butylsulfonylphenyl)-2-[(3,4-dichlorophenyl)thio]ethyl]imidazole Formula: C21H22Cl2N2O2S2 MolecularWeight: 469.44758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C1=CC=C(C=C1)C(CN2C=CN=C2)SC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)S(=O)(=O)C1=CC=C(C=C1)C(CN2C=CN=C2)SC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O2S2/c1-21(2,3)29(26,27)17-7-4-15(5-8-17)20(13-25-11-10-24-14-25)28-16-6-9-18(22)19(23)12-16/h4-12,14,20H,13H2,1-3H3