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

Systemtic Name: 2-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H17N3O3S/c25-18-14-5-1-2-6-15(14)19(26)23(18)11-12-28-21-22-17-8-4-3-7-16(17)20(27)24(21)13-9-10-13/h1-8,13H,9-12H2