2-(3-nitropyridin-2-yl)sulfanyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(3-nitropyridin-2-yl)sulfanyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(3-nitro-2-pyridyl)sulfanyl]-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-[(3-nitro-2-pyridinyl)thio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-(3-nitropyridin-2-yl)sulfanyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(3-nitro-2-pyridyl)thio]-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C18H17N5O5S2 MolecularWeight: 447.48808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SC4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SC4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5S2/c24-23(25)15-8-5-9-19-17(15)29-18-21-20-16(28-18)13-6-4-7-14(12-13)30(26,27)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2