1-[(2-bromophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one

Systemtic Name: 1-[(2-bromophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Openeye Name: 1-[(2-bromophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one CAS Name: 1-[(2-bromophenyl)methylthio]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one IUPAC Name: 1-[(2-bromophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Traditional Name: 1-[(2-bromobenzyl)thio]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Formula: C16H16BrNOS MolecularWeight: 350.27334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(NC(=O)C=C2C1)SCC3=CC=CC=C3Br

Isomeric SMILES

C1CCC2=C(NC(=O)C=C2C1)SCC3=CC=CC=C3Br

InChI

InChI=1S/C16H16BrNOS/c17-14-8-4-2-6-12(14)10-20-16-13-7-3-1-5-11(13)9-15(19)18-16/h2,4,6,8-9H,1,3,5,7,10H2,(H,18,19)