5-(3-piperidin-1-ylsulfonylphenyl)-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(3-piperidin-1-ylsulfonylphenyl)-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-[3-(1-piperidylsulfonyl)phenyl]-3-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-[3-(1-piperidinylsulfonyl)phenyl]-3-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3-piperidin-1-ylsulfonylphenyl)-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3-piperidinosulfonylphenyl)-3-[[2-(3-pyridyl)pyrrolidino]methyl]-1,3,4-oxadiazole-2-thione Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C(=S)O3)CN4CCCC4C5=CN=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C(=S)O3)CN4CCCC4C5=CN=CC=C5

InChI

InChI=1S/C23H27N5O3S2/c29-33(30,27-13-2-1-3-14-27)20-9-4-7-18(15-20)22-25-28(23(32)31-22)17-26-12-6-10-21(26)19-8-5-11-24-16-19/h4-5,7-9,11,15-16,21H,1-3,6,10,12-14,17H2