1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-naphthylmethylsulfanyl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-naphthalenylmethylthio)ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(naphthalen-1-ylmethylsulfanyl)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-naphthylmethylthio)ethanone Formula: C22H21NOS MolecularWeight: 347.47324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21NOS/c24-22(23-13-12-17-6-1-2-8-19(17)14-23)16-25-15-20-10-5-9-18-7-3-4-11-21(18)20/h1-11H,12-16H2