3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-nitrophenyl)sulfanylphenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-nitrophenyl)sulfanylphenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-nitrophenyl)sulfanylphenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(4-nitrophenyl)thio]phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-nitrophenyl)sulfanylphenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(4-nitrophenyl)thio]phenyl]methanone Formula: C22H18N2O3S MolecularWeight: 390.45492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O3S/c25-22(23-14-13-16-5-1-2-6-17(16)15-23)20-7-3-4-8-21(20)28-19-11-9-18(10-12-19)24(26)27/h1-12H,13-15H2