1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-nitrophenyl)thio]propan-1-one Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O3S/c1-13(24-17-8-6-16(7-9-17)20(22)23)18(21)19-11-10-14-4-2-3-5-15(14)12-19/h2-9,13H,10-12H2,1H3