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

Systemtic Name: 2-(3-phenylpropylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-(3-phenylpropylsulfanyl)-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-(3-phenylpropylthio)-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-(3-phenylpropylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-(3-phenylpropylthio)-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCCCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S2/c26-30(27,25-14-5-2-6-15-25)20-13-7-12-19(17-20)21-23-24-22(28-21)29-16-8-11-18-9-3-1-4-10-18/h1,3-4,7,9-10,12-13,17H,2,5-6,8,11,14-16H2