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

Systemtic Name: 2-(1-adamantyl)-5-[(2-chloranylquinolin-3-yl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1-adamantyl)-5-[(2-chloro-3-quinolyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1-adamantyl)-5-[(2-chloro-3-quinolinyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1-adamantyl)-5-[(2-chloroquinolin-3-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1-adamantyl)-5-[(2-chloro-3-quinolyl)methylthio]-1,3,4-oxadiazole Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCC5=CC6=CC=CC=C6N=C5Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCC5=CC6=CC=CC=C6N=C5Cl

InChI

InChI=1S/C22H22ClN3OS/c23-19-17(8-16-3-1-2-4-18(16)24-19)12-28-21-26-25-20(27-21)22-9-13-5-14(10-22)7-15(6-13)11-22/h1-4,8,13-15H,5-7,9-12H2