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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-nitrophenyl)thio]ethanone Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O3S/c20-17(12-23-16-7-5-15(6-8-16)19(21)22)18-10-9-13-3-1-2-4-14(13)11-18/h1-8H,9-12H2