2-[4-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(4-oxo-3-phenyl-2-quinazolinyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(4-keto-3-phenyl-quinazolin-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C26H21N3O3S MolecularWeight: 455.52824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H21N3O3S/c30-23-19-12-4-5-13-20(19)24(31)28(23)16-8-9-17-33-26-27-22-15-7-6-14-21(22)25(32)29(26)18-10-2-1-3-11-18/h1-7,10-15H,8-9,16-17H2