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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one CAS Name: 1-[(2-chloro-6-fluorophenyl)methylthio]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Traditional Name: 1-[(2-chloro-6-fluoro-benzyl)thio]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Formula: C16H15ClFNOS MolecularWeight: 323.812803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(NC(=O)C=C2C1)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CCC2=C(NC(=O)C=C2C1)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H15ClFNOS/c17-13-6-3-7-14(18)12(13)9-21-16-11-5-2-1-4-10(11)8-15(20)19-16/h3,6-8H,1-2,4-5,9H2,(H,19,20)