3-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]propanal

Systemtic Name: 3-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]propanal Openeye Name: 3-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]propanal CAS Name: 3-[(3E)-6-fluoro-2-methyl-3-[[4-(methylthio)phenyl]methylidene]-1-indenyl]propanal IUPAC Name: 3-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]propanal Traditional Name: 3-[(3E)-6-fluoro-2-methyl-3-[4-(methylthio)benzylidene]inden-1-yl]propionaldehyde Formula: C21H19FOS MolecularWeight: 338.438363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)SC)C=CC(=C2)F)CCC=O

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)SC)C=CC(=C2)F)CCC=O

InChI

InChI=1S/C21H19FOS/c1-14-18(4-3-11-23)21-13-16(22)7-10-19(21)20(14)12-15-5-8-17(24-2)9-6-15/h5-13H,3-4H2,1-2H3/b20-12+