1-[2-(1-adamantyl)-2-[3-(4-methylphenyl)propylsulfanyl]ethyl]imidazole

Systemtic Name: 1-[2-(1-adamantyl)-2-[3-(4-methylphenyl)propylsulfanyl]ethyl]imidazole Openeye Name: 1-[2-(1-adamantyl)-2-[3-(p-tolyl)propylsulfanyl]ethyl]imidazole CAS Name: 1-[2-(1-adamantyl)-2-[3-(4-methylphenyl)propylthio]ethyl]imidazole IUPAC Name: 1-[2-(1-adamantyl)-2-[3-(4-methylphenyl)propylsulfanyl]ethyl]imidazole Traditional Name: 1-[2-(1-adamantyl)-2-[3-(p-tolyl)propylthio]ethyl]imidazole Formula: C25H34N2S MolecularWeight: 394.61586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCSC(CN2C=CN=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)CCCSC(CN2C=CN=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N2S/c1-19-4-6-20(7-5-19)3-2-10-28-24(17-27-9-8-26-18-27)25-14-21-11-22(15-25)13-23(12-21)16-25/h4-9,18,21-24H,2-3,10-17H2,1H3