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

Systemtic Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone Openeye Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone CAS Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2,5-dimethoxyphenyl)ethanone IUPAC Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone Traditional Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2,5-dimethoxyphenyl)ethanone Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-26-16-3-4-19(27-2)17(8-16)18(25)12-29-21-24-23-20(28-21)22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,13-15H,5-7,9-12H2,1-2H3