(4Z)-4-[(5-methylthiophen-2-yl)methylidene]-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione

Systemtic Name: (4Z)-4-[(5-methylthiophen-2-yl)methylidene]-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione Openeye Name: (4Z)-4-[(5-methyl-2-thienyl)methylene]-2-(2-pyridylmethyl)isoquinoline-1,3-dione CAS Name: (4Z)-4-[(5-methyl-2-thiophenyl)methylidene]-2-(2-pyridinylmethyl)isoquinoline-1,3-dione IUPAC Name: (4Z)-4-[(5-methylthiophen-2-yl)methylidene]-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione Traditional Name: (4Z)-4-[(5-methyl-2-thienyl)methylene]-2-(2-pyridylmethyl)isoquinoline-1,3-quinone Formula: C21H16N2O2S MolecularWeight: 360.42894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(S1)/C=C\2/C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=N4

InChI

InChI=1S/C21H16N2O2S/c1-14-9-10-16(26-14)12-19-17-7-2-3-8-18(17)20(24)23(21(19)25)13-15-6-4-5-11-22-15/h2-12H,13H2,1H3/b19-12-