2-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(E)-cinnamyl]sulfanyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole CAS Name: 2-[[(E)-3-phenylprop-2-enyl]thio]-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[[(E)-cinnamyl]thio]-5-(3-pyrrolidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C21H21N3O3S2 MolecularWeight: 427.53974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S2/c25-29(26,24-13-4-5-14-24)19-12-6-11-18(16-19)20-22-23-21(27-20)28-15-7-10-17-8-2-1-3-9-17/h1-3,6-12,16H,4-5,13-15H2/b10-7+