1-(1-adamantyl)-2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]ethanone Formula: C26H27ClN2OS MolecularWeight: 451.02338

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=C(N4CC6=CC=CC=C6)C=CC(=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=C(N4CC6=CC=CC=C6)C=CC(=C5)Cl

InChI

InChI=1S/C26H27ClN2OS/c27-21-6-7-23-22(11-21)28-25(29(23)15-17-4-2-1-3-5-17)31-16-24(30)26-12-18-8-19(13-26)10-20(9-18)14-26/h1-7,11,18-20H,8-10,12-16H2