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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-fluorophenyl)sulfanyl-3-nitro-phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-fluorophenyl)sulfanyl-3-nitro-phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(4-fluorophenyl)thio]-3-nitrophenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-fluorophenyl)sulfanyl-3-nitrophenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(4-fluorophenyl)thio]-3-nitro-phenyl]methanone Formula: C22H17FN2O3S MolecularWeight: 408.445383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H17FN2O3S/c23-18-6-8-19(9-7-18)29-21-10-5-16(13-20(21)25(27)28)22(26)24-12-11-15-3-1-2-4-17(15)14-24/h1-10,13H,11-12,14H2