2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1-benzofuran-2-yl)ethanone

Systemtic Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1-benzofuran-2-yl)ethanone Openeye Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(benzofuran-2-yl)ethanone CAS Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2-benzofuranyl)ethanone IUPAC Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1-benzofuran-2-yl)ethanone Traditional Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-1-(benzofuran-2-yl)ethanone Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCC(=O)C5=CC6=CC=CC=C6O5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCC(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C22H22N2O3S/c25-17(19-8-16-3-1-2-4-18(16)26-19)12-28-21-24-23-20(27-21)22-9-13-5-14(10-22)7-15(6-13)11-22/h1-4,8,13-15H,5-7,9-12H2