2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(3,5-dimethylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(3,5-dimethylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(3,5-dimethylphenyl)-1,3,4-oxadiazole CAS Name: 2-[2-(4-bromophenyl)sulfonylethylthio]-5-(3,5-dimethylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(3,5-dimethylphenyl)-1,3,4-oxadiazole Traditional Name: 2-(2-brosylethylthio)-5-(3,5-dimethylphenyl)-1,3,4-oxadiazole Formula: C18H17BrN2O3S2 MolecularWeight: 453.37318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NN=C(O2)SCCS(=O)(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NN=C(O2)SCCS(=O)(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H17BrN2O3S2/c1-12-9-13(2)11-14(10-12)17-20-21-18(24-17)25-7-8-26(22,23)16-5-3-15(19)4-6-16/h3-6,9-11H,7-8H2,1-2H3