2-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)thio]-1-phenylethanone IUPAC Name: 2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)thio]-1-phenyl-ethanone Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)C=C(C=C2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC2=C(C1)C=C(C=C2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19NO2S/c1-14(21)20-10-9-15-7-8-18(11-17(15)12-20)23-13-19(22)16-5-3-2-4-6-16/h2-8,11H,9-10,12-13H2,1H3