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

Systemtic Name: 2-phenethylsulfanyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-phenethylsulfanyl-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-(phenethylthio)-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-phenethylsulfanyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-(phenethylthio)-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S2/c25-29(26,24-13-5-2-6-14-24)19-11-7-10-18(16-19)20-22-23-21(27-20)28-15-12-17-8-3-1-4-9-17/h1,3-4,7-11,16H,2,5-6,12-15H2