2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C25H19FN4O3S MolecularWeight: 474.506763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H19FN4O3S/c26-18-9-7-16(8-10-18)24-20-5-1-2-6-21(20)25(28-27-24)34-15-23(31)29-13-3-4-17-14-19(30(32)33)11-12-22(17)29/h1-2,5-12,14H,3-4,13,15H2