2-(3-methylphenyl)-4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(3-methylphenyl)-4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(m-tolyl)-4-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]isoquinoline-1,3-dione CAS Name: 2-(3-methylphenyl)-4-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(3-methylphenyl)-4-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(m-tolyl)-4-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]isoquinoline-1,3-quinone Formula: C30H21N3O2S MolecularWeight: 487.57164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)C2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)C2=O

InChI

InChI=1S/C30H21N3O2S/c1-20-9-7-12-23(17-20)33-29(34)25-14-6-5-13-24(25)26(30(33)35)18-21-19-32(22-10-3-2-4-11-22)31-28(21)27-15-8-16-36-27/h2-19H,1H3