1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-fluorophenyl)methylthio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-fluorobenzyl)thio]ethanone Formula: C18H18FNOS MolecularWeight: 315.405023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FNOS/c19-17-7-5-14(6-8-17)12-22-13-18(21)20-10-9-15-3-1-2-4-16(15)11-20/h1-8H,9-13H2