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

Systemtic Name: 1-(1-adamantyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[[5-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

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