4,4-bis(methylsulfanyl)-1-phenyl-but-3-en-1-one

Systemtic Name: 4,4-bis(methylsulfanyl)-1-phenyl-but-3-en-1-one Openeye Name: 4,4-bis(methylsulfanyl)-1-phenyl-but-3-en-1-one CAS Name: 4,4-bis(methylthio)-1-phenyl-3-buten-1-one IUPAC Name: 4,4-bis(methylsulfanyl)-1-phenylbut-3-en-1-one Traditional Name: 4,4-bis(methylthio)-1-phenyl-but-3-en-1-one Formula: C12H14OS2 MolecularWeight: 238.36896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=CCC(=O)C1=CC=CC=C1)SC

Isomeric SMILES

CSC(=CCC(=O)C1=CC=CC=C1)SC

InChI

InChI=1S/C12H14OS2/c1-14-12(15-2)9-8-11(13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3