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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCN4C(=O)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCN4C(=O)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C26H21N3O3S/c1-16-11-12-22(17(2)15-16)29-25(32)20-9-5-6-10-21(20)27-26(29)33-14-13-28-23(30)18-7-3-4-8-19(18)24(28)31/h3-12,15H,13-14H2,1-2H3