7-bromanyl-2-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-bromanyl-2-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[[[4-(4-fluorophenyl)-1-phthalazinyl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[[[4-(4-fluorophenyl)phthalazin-1-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H15BrFN4OS+ MolecularWeight: 494.358803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H14BrFN4OS/c24-15-7-10-20-26-17(11-21(30)29(20)12-15)13-31-23-19-4-2-1-3-18(19)22(27-28-23)14-5-8-16(25)9-6-14/h1-12H,13H2/p+1