2-[(2-fluorophenyl)methylsulfanyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-5-[4-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-[(2-fluorophenyl)methylthio]-5-[4-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-fluorobenzyl)thio]-5-(4-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C20H20FN3O3S2 MolecularWeight: 433.519503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC4=CC=CC=C4F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC4=CC=CC=C4F

InChI

InChI=1S/C20H20FN3O3S2/c21-18-7-3-2-6-16(18)14-28-20-23-22-19(27-20)15-8-10-17(11-9-15)29(25,26)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-14H2