2-[[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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