2-[(2-bromophenyl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(2-bromophenyl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2-bromophenyl)methylsulfanyl]-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-[(2-bromophenyl)methylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-[(2-bromophenyl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-bromobenzyl)thio]-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C20H20BrN3O3S2 MolecularWeight: 494.4251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=CC=CC=C4Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=CC=CC=C4Br

InChI

InChI=1S/C20H20BrN3O3S2/c21-18-10-3-2-7-16(18)14-28-20-23-22-19(27-20)15-8-6-9-17(13-15)29(25,26)24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14H2