1-[2-(1-adamantyl)-2-(phenylmethylsulfanyl)ethyl]imidazole

Systemtic Name: 1-[2-(1-adamantyl)-2-(phenylmethylsulfanyl)ethyl]imidazole Openeye Name: 1-[2-(1-adamantyl)-2-benzylsulfanyl-ethyl]imidazole CAS Name: 1-[2-(1-adamantyl)-2-(phenylmethylthio)ethyl]imidazole IUPAC Name: 1-[2-(1-adamantyl)-2-benzylsulfanylethyl]imidazole Traditional Name: 1-[2-(1-adamantyl)-2-(benzylthio)ethyl]imidazole Formula: C22H28N2S MolecularWeight: 352.53612

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(CN4C=CN=C4)SCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(CN4C=CN=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C22H28N2S/c1-2-4-17(5-3-1)15-25-21(14-24-7-6-23-16-24)22-11-18-8-19(12-22)10-20(9-18)13-22/h1-7,16,18-21H,8-15H2