2-[[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C25H19N3O3S MolecularWeight: 441.50166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C25H19N3O3S/c1-15-11-16(2)13-17(12-15)28-24(31)20-9-5-6-10-21(20)26-25(28)32-14-27-22(29)18-7-3-4-8-19(18)23(27)30/h3-13H,14H2,1-2H3