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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O3S/c1-17(18-9-3-2-4-10-18)29-25(32)21-13-7-8-14-22(21)27-26(29)33-16-15-28-23(30)19-11-5-6-12-20(19)24(28)31/h2-14,17H,15-16H2,1H3