2-(2-chloranylprop-2-enylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(2-chloranylprop-2-enylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-(2-chloroallylsulfanyl)-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-(2-chloroprop-2-enylthio)-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-(2-chloroprop-2-enylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-(2-chloroallylthio)-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C16H18ClN3O3S2 MolecularWeight: 399.91542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(CSC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

C=C(CSC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C16H18ClN3O3S2/c1-12(17)11-24-16-19-18-15(23-16)13-6-5-7-14(10-13)25(21,22)20-8-3-2-4-9-20/h5-7,10H,1-4,8-9,11H2