1-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)ethanone

Systemtic Name: 1-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)ethanone Openeye Name: 1-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)ethanone CAS Name: 1-[1-(methylthio)-5,6,7,8-tetrahydroisoquinolin-3-yl]ethanone IUPAC Name: 1-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)ethanone Traditional Name: 1-[1-(methylthio)-5,6,7,8-tetrahydroisoquinolin-3-yl]ethanone Formula: C12H15NOS MolecularWeight: 221.3186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC(=C2CCCCC2=C1)SC

Isomeric SMILES

CC(=O)C1=NC(=C2CCCCC2=C1)SC

InChI

InChI=1S/C12H15NOS/c1-8(14)11-7-9-5-3-4-6-10(9)12(13-11)15-2/h7H,3-6H2,1-2H3