(4E)-5-(4-dimethylaminophenyl)-1,1-bis(phenylmethylsulfanyl)penta-1,4-dien-3-one

Systemtic Name: (4E)-5-(4-dimethylaminophenyl)-1,1-bis(phenylmethylsulfanyl)penta-1,4-dien-3-one Openeye Name: (4E)-1,1-bis(benzylsulfanyl)-5-(4-dimethylaminophenyl)penta-1,4-dien-3-one CAS Name: (4E)-5-(4-dimethylaminophenyl)-1,1-bis(phenylmethylthio)-3-penta-1,4-dienone IUPAC Name: (4E)-1,1-bis(benzylsulfanyl)-5-(4-dimethylaminophenyl)penta-1,4-dien-3-one Traditional Name: (4E)-1,1-bis(benzylthio)-5-(4-dimethylaminophenyl)penta-1,4-dien-3-one Formula: C27H27NOS2 MolecularWeight: 445.63938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC(=O)C=C(SCC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C(=O)C=C(SCC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C27H27NOS2/c1-28(2)25-16-13-22(14-17-25)15-18-26(29)19-27(30-20-23-9-5-3-6-10-23)31-21-24-11-7-4-8-12-24/h3-19H,20-21H2,1-2H3/b18-15+