2-(1-adamantyl)-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1-adamantyl)-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1-adamantyl)-5-[(5-phenylisoxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1-adamantyl)-5-[(5-phenyl-3-isoxazolyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1-adamantyl)-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1-adamantyl)-5-[(5-phenylisoxazol-3-yl)methylthio]-1,3,4-oxadiazole Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCC5=NOC(=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCC5=NOC(=C5)C6=CC=CC=C6

InChI

InChI=1S/C22H23N3O2S/c1-2-4-17(5-3-1)19-9-18(25-27-19)13-28-21-24-23-20(26-21)22-10-14-6-15(11-22)8-16(7-14)12-22/h1-5,9,14-16H,6-8,10-13H2