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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H20BrN3O3S2/c21-17-8-4-6-15(12-17)14-28-20-23-22-19(27-20)16-7-5-9-18(13-16)29(25,26)24-10-2-1-3-11-24/h4-9,12-13H,1-3,10-11,14H2