2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C21H22FN3O4S2 MolecularWeight: 463.545483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)F

InChI

InChI=1S/C21H22FN3O4S2/c1-28-19-9-8-15(12-18(19)22)14-30-21-24-23-20(29-21)16-6-5-7-17(13-16)31(26,27)25-10-3-2-4-11-25/h5-9,12-13H,2-4,10-11,14H2,1H3