4-bromanyl-1-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one

Systemtic Name: 4-bromanyl-1-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Openeye Name: 4-bromo-1-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one CAS Name: 4-bromo-1-[(4-chlorophenyl)methylthio]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one IUPAC Name: 4-bromo-1-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Traditional Name: 4-bromo-1-[(4-chlorobenzyl)thio]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Formula: C16H15BrClNOS MolecularWeight: 384.7184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrClNOS/c17-14-12-3-1-2-4-13(12)16(19-15(14)20)21-9-10-5-7-11(18)8-6-10/h5-8H,1-4,9H2,(H,19,20)