1-(1-adamantyl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]ethanone Formula: C25H30N2OS MolecularWeight: 406.5835

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(N2C3=CC=CC=C3)SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC2=C(C1)N=C(N2C3=CC=CC=C3)SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H30N2OS/c28-23(25-13-17-10-18(14-25)12-19(11-17)15-25)16-29-24-26-21-8-4-5-9-22(21)27(24)20-6-2-1-3-7-20/h1-3,6-7,17-19H,4-5,8-16H2