1-[2-(1-adamantyl)-2-(4-tert-butyl-2-methyl-phenyl)sulfanyl-ethyl]imidazole

Systemtic Name: 1-[2-(1-adamantyl)-2-(4-tert-butyl-2-methyl-phenyl)sulfanyl-ethyl]imidazole Openeye Name: 1-[2-(1-adamantyl)-2-(4-tert-butyl-2-methyl-phenyl)sulfanyl-ethyl]imidazole CAS Name: 1-[2-(1-adamantyl)-2-[(4-tert-butyl-2-methylphenyl)thio]ethyl]imidazole IUPAC Name: 1-[2-(1-adamantyl)-2-(4-tert-butyl-2-methylphenyl)sulfanylethyl]imidazole Traditional Name: 1-[2-(1-adamantyl)-2-[(4-tert-butyl-2-methyl-phenyl)thio]ethyl]imidazole Formula: C26H36N2S MolecularWeight: 408.64244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2S/c1-18-9-22(25(2,3)4)5-6-23(18)29-24(16-28-8-7-27-17-28)26-13-19-10-20(14-26)12-21(11-19)15-26/h5-9,17,19-21,24H,10-16H2,1-4H3