1-(1-adamantyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]propan-1-one Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(O4)C5=CC=NC=C5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(O4)C5=CC=NC=C5

InChI

InChI=1S/C20H23N3O2S/c1-12(26-19-23-22-18(25-19)16-2-4-21-5-3-16)17(24)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,12-15H,6-11H2,1H3