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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

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