1-(1-adamantyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[(1-phenethyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(1-phenethylbenzimidazol-2-yl)thio]ethanone Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=CC=CC=C5N4CCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=CC=CC=C5N4CCC6=CC=CC=C6

InChI

InChI=1S/C27H30N2OS/c30-25(27-15-20-12-21(16-27)14-22(13-20)17-27)18-31-26-28-23-8-4-5-9-24(23)29(26)11-10-19-6-2-1-3-7-19/h1-9,20-22H,10-18H2