1-[2-(1-adamantyl)-2-(3-bromanyl-4-methyl-phenyl)sulfanyl-ethyl]imidazole

Systemtic Name: 1-[2-(1-adamantyl)-2-(3-bromanyl-4-methyl-phenyl)sulfanyl-ethyl]imidazole Openeye Name: 1-[2-(1-adamantyl)-2-(3-bromo-4-methyl-phenyl)sulfanyl-ethyl]imidazole CAS Name: 1-[2-(1-adamantyl)-2-[(3-bromo-4-methylphenyl)thio]ethyl]imidazole IUPAC Name: 1-[2-(1-adamantyl)-2-(3-bromo-4-methylphenyl)sulfanylethyl]imidazole Traditional Name: 1-[2-(1-adamantyl)-2-[(3-bromo-4-methyl-phenyl)thio]ethyl]imidazole Formula: C22H27BrN2S MolecularWeight: 431.43218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2S/c1-15-2-3-19(9-20(15)23)26-21(13-25-5-4-24-14-25)22-10-16-6-17(11-22)8-18(7-16)12-22/h2-5,9,14,16-18,21H,6-8,10-13H2,1H3