(4E)-4-[(5-bromanylthiophen-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione

Systemtic Name: (4E)-4-[(5-bromanylthiophen-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione Openeye Name: (4E)-4-[(5-bromo-2-thienyl)methylene]-2-(o-tolyl)isoquinoline-1,3-dione CAS Name: (4E)-4-[(5-bromo-2-thiophenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione IUPAC Name: (4E)-4-[(5-bromothiophen-2-yl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione Traditional Name: (4E)-4-[(5-bromo-2-thienyl)methylene]-2-(o-tolyl)isoquinoline-1,3-quinone Formula: C21H14BrNO2S MolecularWeight: 424.31036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=CC4=CC=C(S4)Br)C2=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3/C(=C\C4=CC=C(S4)Br)/C2=O

InChI

InChI=1S/C21H14BrNO2S/c1-13-6-2-5-9-18(13)23-20(24)16-8-4-3-7-15(16)17(21(23)25)12-14-10-11-19(22)26-14/h2-12H,1H3/b17-12+