3,4-dihydro-1H-isoquinolin-2-yl-[3-nitro-4-(pyridin-2-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-nitro-4-(pyridin-2-ylmethylsulfanyl)phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-nitro-4-(2-pyridylmethylsulfanyl)phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-nitro-4-(2-pyridinylmethylthio)phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-nitro-4-(pyridin-2-ylmethylsulfanyl)phenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-nitro-4-(2-pyridylmethylthio)phenyl]methanone Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)SCC4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)SCC4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O3S/c26-22(24-12-10-16-5-1-2-6-18(16)14-24)17-8-9-21(20(13-17)25(27)28)29-15-19-7-3-4-11-23-19/h1-9,11,13H,10,12,14-15H2