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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H19N3O3S/c29-22-18-10-4-5-11-19(18)23(30)27(22)14-15-32-25-26-21-13-7-6-12-20(21)24(31)28(25)16-17-8-2-1-3-9-17/h1-13H,14-16H2