2-[2-(2-methylquinazolin-4-yl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(2-methylquinazolin-4-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(2-methylquinazolin-4-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(2-methyl-4-quinazolinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(2-methylquinazolin-4-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(2-methylquinazolin-4-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C19H15N3O2S MolecularWeight: 349.4063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H15N3O2S/c1-12-20-16-9-5-4-8-15(16)17(21-12)25-11-10-22-18(23)13-6-2-3-7-14(13)19(22)24/h2-9H,10-11H2,1H3