4-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1,3,4-oxadiazol-2-yl]-N,N-diethyl-aniline

Systemtic Name: 4-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1,3,4-oxadiazol-2-yl]-N,N-diethyl-aniline Openeye Name: 4-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1,3,4-oxadiazol-2-yl]-N,N-diethyl-aniline CAS Name: 4-[5-[2-(4-bromophenyl)sulfonylethylthio]-1,3,4-oxadiazol-2-yl]-N,N-diethylaniline IUPAC Name: 4-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylaniline Traditional Name: [4-[5-(2-brosylethylthio)-1,3,4-oxadiazol-2-yl]phenyl]-diethyl-amine Formula: C20H22BrN3O3S2 MolecularWeight: 496.44098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NN=C(O2)SCCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NN=C(O2)SCCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3O3S2/c1-3-24(4-2)17-9-5-15(6-10-17)19-22-23-20(27-19)28-13-14-29(25,26)18-11-7-16(21)8-12-18/h5-12H,3-4,13-14H2,1-2H3