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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(NC(=O)C=C2C1)SCC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCC2=C(NC(=O)C=C2C1)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H16BrNOS/c17-13-6-3-4-11(8-13)10-20-16-14-7-2-1-5-12(14)9-15(19)18-16/h3-4,6,8-9H,1-2,5,7,10H2,(H,18,19)