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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5C4=O

InChI

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