2-(1-adamantyl)-5-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1-adamantyl)-5-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1-adamantyl)-5-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1-adamantyl)-5-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1-adamantyl)-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1-adamantyl)-5-[(4,5-dimethoxy-2-methyl-benzyl)thio]-1,3,4-oxadiazole Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4)OC)OC

InChI

InChI=1S/C22H28N2O3S/c1-13-4-18(25-2)19(26-3)8-17(13)12-28-21-24-23-20(27-21)22-9-14-5-15(10-22)7-16(6-14)11-22/h4,8,14-16H,5-7,9-12H2,1-3H3