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

Systemtic Name: 5-nitro-2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzenecarbonitrile Openeye Name: 5-nitro-2-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile CAS Name: 5-nitro-2-[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]benzonitrile IUPAC Name: 5-nitro-2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile Traditional Name: 5-nitro-2-[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]benzonitrile Formula: C20H17N5O5S2 MolecularWeight: 471.50948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H17N5O5S2/c21-13-15-11-16(25(26)27)7-8-18(15)31-20-23-22-19(30-20)14-5-4-6-17(12-14)32(28,29)24-9-2-1-3-10-24/h4-8,11-12H,1-3,9-10H2