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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O3S/c1-16(17-9-3-2-4-10-17)28-24(31)20-13-7-8-14-21(20)26-25(28)32-15-27-22(29)18-11-5-6-12-19(18)23(27)30/h2-14,16H,15H2,1H3