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

Systemtic Name: 1-[2-(1-adamantyl)-2-(3,4-dichlorophenyl)sulfanyl-ethyl]imidazole Openeye Name: 1-[2-(1-adamantyl)-2-(3,4-dichlorophenyl)sulfanyl-ethyl]imidazole CAS Name: 1-[2-(1-adamantyl)-2-[(3,4-dichlorophenyl)thio]ethyl]imidazole IUPAC Name: 1-[2-(1-adamantyl)-2-(3,4-dichlorophenyl)sulfanylethyl]imidazole Traditional Name: 1-[2-(1-adamantyl)-2-[(3,4-dichlorophenyl)thio]ethyl]imidazole Formula: C21H24Cl2N2S MolecularWeight: 407.39966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(CN4C=CN=C4)SC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(CN4C=CN=C4)SC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C21H24Cl2N2S/c22-18-2-1-17(8-19(18)23)26-20(12-25-4-3-24-13-25)21-9-14-5-15(10-21)7-16(6-14)11-21/h1-4,8,13-16,20H,5-7,9-12H2