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

Systemtic Name: 2-[2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H19N3O4S/c1-32-17-8-6-7-16(15-17)28-24(31)20-11-4-5-12-21(20)26-25(28)33-14-13-27-22(29)18-9-2-3-10-19(18)23(27)30/h2-12,15H,13-14H2,1H3