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

Systemtic Name: 3-[5-(1,3-benzoxazol-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-(1,3-benzoxazol-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-(1,3-benzoxazol-2-ylmethylthio)-1,3,4-oxadiazol-2-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-(1,3-benzoxazol-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-(1,3-benzoxazol-2-ylmethylthio)-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H20N4O4S2/c1-3-24(4-2)30(25,26)15-9-7-8-14(12-15)19-22-23-20(28-19)29-13-18-21-16-10-5-6-11-17(16)27-18/h5-12H,3-4,13H2,1-2H3