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

Systemtic Name: 1-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Openeye Name: 1-benzylsulfanyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one CAS Name: 1-(phenylmethylthio)-5,6,7,8-tetrahydro-2H-isoquinolin-3-one IUPAC Name: 1-benzylsulfanyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Traditional Name: 1-(benzylthio)-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Formula: C16H17NOS MolecularWeight: 271.37728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NOS/c18-15-10-13-8-4-5-9-14(13)16(17-15)19-11-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,17,18)