2-[2-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-[7-chloro-3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[7-chloro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[7-chloro-4-keto-3-(o-tolyl)quinazolin-2-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C25H18ClN3O3S MolecularWeight: 475.94672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H18ClN3O3S/c1-15-6-2-5-9-21(15)29-24(32)19-11-10-16(26)14-20(19)27-25(29)33-13-12-28-22(30)17-7-3-4-8-18(17)23(28)31/h2-11,14H,12-13H2,1H3