2-[(6-bromanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(6-bromanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(6-bromo-4-oxo-3-phenyl-quinazolin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(6-bromo-4-oxo-3-phenyl-2-quinazolinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(6-bromo-4-keto-3-phenyl-quinazolin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C23H14BrN3O3S MolecularWeight: 492.34456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H14BrN3O3S/c24-14-10-11-19-18(12-14)22(30)27(15-6-2-1-3-7-15)23(25-19)31-13-26-20(28)16-8-4-5-9-17(16)21(26)29/h1-12H,13H2