1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylquinazolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylquinazolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylquinazolin-2-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-2-quinazolinyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylquinazolin-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenylquinazolin-2-yl)thio]ethanone Formula: C25H21N3OS MolecularWeight: 411.51874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3OS/c29-23(28-15-14-18-8-4-5-11-20(18)16-28)17-30-25-26-22-13-7-6-12-21(22)24(27-25)19-9-2-1-3-10-19/h1-13H,14-17H2