2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C18H17ClFNOS MolecularWeight: 349.850083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H17ClFNOS/c19-16-6-3-7-17(20)15(16)11-23-12-18(22)21-9-8-13-4-1-2-5-14(13)10-21/h1-7H,8-12H2