3-[5-(1-adamantylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[5-(1-adamantylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-(1-adamantylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-(1-adamantylmethylthio)-1,3,4-oxadiazol-2-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-(1-adamantylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-(1-adamantylmethylthio)-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3O3S2/c1-3-26(4-2)31(27,28)20-7-5-6-19(11-20)21-24-25-22(29-21)30-15-23-12-16-8-17(13-23)10-18(9-16)14-23/h5-7,11,16-18H,3-4,8-10,12-15H2,1-2H3