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

Systemtic Name: 1-(4-phenylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 1-(4-phenylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-[4-(phenylthio)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 1-(4-phenylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 1-[4-(phenylthio)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C17H17NOS MolecularWeight: 283.38798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(C2=CC=CC=C2C1)SC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CC(C2=CC=CC=C2C1)SC3=CC=CC=C3

InChI

InChI=1S/C17H17NOS/c1-13(19)18-11-14-7-5-6-10-16(14)17(12-18)20-15-8-3-2-4-9-15/h2-10,17H,11-12H2,1H3