1-(1-adamantyl)-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-[5-(4-chlorophenyl)-1-(o-tolyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(4-chlorophenyl)-1-(2-methylphenyl)-2-imidazolyl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(4-chlorophenyl)-1-(o-tolyl)imidazol-2-yl]thio]ethanone Formula: C28H29ClN2OS MolecularWeight: 477.06066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=CN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C28H29ClN2OS/c1-18-4-2-3-5-24(18)31-25(22-6-8-23(29)9-7-22)16-30-27(31)33-17-26(32)28-13-19-10-20(14-28)12-21(11-19)15-28/h2-9,16,19-21H,10-15,17H2,1H3