2-(phenylmethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(phenylmethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-benzylsulfanyl-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-(phenylmethylthio)-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-benzylsulfanyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-(benzylthio)-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c24-28(25,23-12-5-2-6-13-23)18-11-7-10-17(14-18)19-21-22-20(26-19)27-15-16-8-3-1-4-9-16/h1,3-4,7-11,14H,2,5-6,12-13,15H2