1-[2-(4-tert-butylsulfonylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethyl]imidazole

Systemtic Name: 1-[2-(4-tert-butylsulfonylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethyl]imidazole Openeye Name: 1-[2-(4-tert-butylsulfonylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethyl]imidazole CAS Name: 1-[2-(4-tert-butylsulfonylphenyl)-2-[(4-chlorophenyl)methylthio]ethyl]imidazole IUPAC Name: 1-[2-(4-tert-butylsulfonylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]ethyl]imidazole Traditional Name: 1-[2-(4-tert-butylsulfonylphenyl)-2-[(4-chlorobenzyl)thio]ethyl]imidazole Formula: C22H25ClN2O2S2 MolecularWeight: 449.0291

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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)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)S(=O)(=O)C1=CC=C(C=C1)C(CN2C=CN=C2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O2S2/c1-22(2,3)29(26,27)20-10-6-18(7-11-20)21(14-25-13-12-24-16-25)28-15-17-4-8-19(23)9-5-17/h4-13,16,21H,14-15H2,1-3H3