2-[(E)-4-(4-methylsulfanylphenyl)but-3-enyl]isoindole-1,3-dione

Systemtic Name: 2-[(E)-4-(4-methylsulfanylphenyl)but-3-enyl]isoindole-1,3-dione Openeye Name: 2-[(E)-4-(4-methylsulfanylphenyl)but-3-enyl]isoindoline-1,3-dione CAS Name: 2-[(E)-4-[4-(methylthio)phenyl]but-3-enyl]isoindole-1,3-dione IUPAC Name: 2-[(E)-4-(4-methylsulfanylphenyl)but-3-enyl]isoindole-1,3-dione Traditional Name: 2-[(E)-4-[4-(methylthio)phenyl]but-3-enyl]isoindoline-1,3-quinone Formula: C19H17NO2S MolecularWeight: 323.40878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H17NO2S/c1-23-15-11-9-14(10-12-15)6-4-5-13-20-18(21)16-7-2-3-8-17(16)19(20)22/h2-4,6-12H,5,13H2,1H3/b6-4+