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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-ethylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-ethylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2-ethyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-ethylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2-ethylquinazolin-4-yl)thio]ethanone Formula: C21H21N3OS MolecularWeight: 363.47594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H21N3OS/c1-2-19-22-18-10-6-5-9-17(18)21(23-19)26-14-20(25)24-12-11-15-7-3-4-8-16(15)13-24/h3-10H,2,11-14H2,1H3