4-bromanyl-1-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-2H-isoquinolin-3-one

Systemtic Name: 4-bromanyl-1-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Openeye Name: 1-benzylsulfanyl-4-bromo-5,6,7,8-tetrahydro-2H-isoquinolin-3-one CAS Name: 4-bromo-1-(phenylmethylthio)-5,6,7,8-tetrahydro-2H-isoquinolin-3-one IUPAC Name: 1-benzylsulfanyl-4-bromo-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Traditional Name: 1-(benzylthio)-4-bromo-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)Br)SCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNOS/c17-14-12-8-4-5-9-13(12)16(18-15(14)19)20-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,18,19)