4-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]butanenitrile IUPAC Name: 4-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]butyronitrile Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCCCC#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCCCC#N

InChI

InChI=1S/C17H20N4O3S2/c18-9-2-5-12-25-17-20-19-16(24-17)14-7-6-8-15(13-14)26(22,23)21-10-3-1-4-11-21/h6-8,13H,1-5,10-12H2