1-[2-(1-adamantyl)-2-[(4-tert-butylphenyl)methylsulfanyl]ethyl]imidazole

Systemtic Name: 1-[2-(1-adamantyl)-2-[(4-tert-butylphenyl)methylsulfanyl]ethyl]imidazole Openeye Name: 1-[2-(1-adamantyl)-2-[(4-tert-butylphenyl)methylsulfanyl]ethyl]imidazole CAS Name: 1-[2-(1-adamantyl)-2-[(4-tert-butylphenyl)methylthio]ethyl]imidazole IUPAC Name: 1-[2-(1-adamantyl)-2-[(4-tert-butylphenyl)methylsulfanyl]ethyl]imidazole Traditional Name: 1-[2-(1-adamantyl)-2-[(4-tert-butylbenzyl)thio]ethyl]imidazole Formula: C26H36N2S MolecularWeight: 408.64244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2S/c1-25(2,3)23-6-4-19(5-7-23)17-29-24(16-28-9-8-27-18-28)26-13-20-10-21(14-26)12-22(11-20)15-26/h4-9,18,20-22,24H,10-17H2,1-3H3