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

Systemtic Name: 3-[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-[(2,5-dimethylphenyl)methylthio]-1,3,4-oxadiazol-2-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-[(2,5-dimethylbenzyl)thio]-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H25N3O3S2/c1-5-24(6-2)29(25,26)19-9-7-8-17(13-19)20-22-23-21(27-20)28-14-18-12-15(3)10-11-16(18)4/h7-13H,5-6,14H2,1-4H3