4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenyl-butan-1-one

Systemtic Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-phenyl-butan-1-one Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCCCC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCCCC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H20N2O4S/c1-24-17-11-10-15(13-18(17)25-2)19-21-22-20(26-19)27-12-6-9-16(23)14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3