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

Systemtic Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-phenyl-butan-1-one Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(O2)SCCCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(O2)SCCCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20N2O2S/c1-14-10-11-17(13-15(14)2)19-21-22-20(24-19)25-12-6-9-18(23)16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3