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

Systemtic Name: 1-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Openeye Name: 1-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one CAS Name: 1-[(4-chlorophenyl)methylthio]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one IUPAC Name: 1-[(4-chlorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Traditional Name: 1-[(4-chlorobenzyl)thio]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Formula: C16H16ClNOS MolecularWeight: 305.82234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNOS/c17-13-7-5-11(6-8-13)10-20-16-14-4-2-1-3-12(14)9-15(19)18-16/h5-9H,1-4,10H2,(H,18,19)