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

Systemtic Name: 2-[[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H21N3O3S/c1-16(2)17-9-6-8-14-22(17)29-25(32)20-12-5-7-13-21(20)27-26(29)33-15-28-23(30)18-10-3-4-11-19(18)24(28)31/h3-14,16H,15H2,1-2H3