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

Systemtic Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24N2O3S/c1-25-17-4-2-16(3-5-17)18(24)12-27-20-23-22-19(26-20)21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15H,6-12H2,1H3