1-[2-(1-adamantyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole

Systemtic Name: 1-[2-(1-adamantyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole Openeye Name: 1-[2-(1-adamantyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole CAS Name: 1-[2-(1-adamantyl)-2-[(3,4-dichlorophenyl)methylthio]ethyl]imidazole IUPAC Name: 1-[2-(1-adamantyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole Traditional Name: 1-[2-(1-adamantyl)-2-[(3,4-dichlorobenzyl)thio]ethyl]imidazole Formula: C22H26Cl2N2S MolecularWeight: 421.42624

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(CN4C=CN=C4)SCC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(CN4C=CN=C4)SCC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C22H26Cl2N2S/c23-19-2-1-15(8-20(19)24)13-27-21(12-26-4-3-25-14-26)22-9-16-5-17(10-22)7-18(6-16)11-22/h1-4,8,14,16-18,21H,5-7,9-13H2