2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C20H19ClFN3O3S2 MolecularWeight: 467.964563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C20H19ClFN3O3S2/c21-17-8-5-9-18(22)16(17)13-29-20-24-23-19(28-20)14-6-4-7-15(12-14)30(26,27)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2