2-(oxan-2-ylmethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(oxan-2-ylmethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[3-(1-piperidylsulfonyl)phenyl]-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,3,4-oxadiazole CAS Name: 2-(2-oxanylmethylthio)-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-(oxan-2-ylmethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-(3-piperidinosulfonylphenyl)-5-(tetrahydropyran-2-ylmethylthio)-1,3,4-oxadiazole Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4CCCCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4CCCCO4

InChI

InChI=1S/C19H25N3O4S2/c23-28(24,22-10-3-1-4-11-22)17-9-6-7-15(13-17)18-20-21-19(26-18)27-14-16-8-2-5-12-25-16/h6-7,9,13,16H,1-5,8,10-12,14H2