3-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S2/c22-14-16-6-4-7-17(12-16)15-29-21-24-23-20(28-21)18-8-5-9-19(13-18)30(26,27)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11,15H2