1-(4-fluorophenyl)-3-[2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-yl]pyridazin-4-one

Systemtic Name: 1-(4-fluorophenyl)-3-[2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-yl]pyridazin-4-one Openeye Name: 1-(4-fluorophenyl)-3-[2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanylpyrimidin-4-yl]pyridazin-4-one CAS Name: 1-(4-fluorophenyl)-3-[2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-4-pyrimidinyl]-4-pyridazinone IUPAC Name: 1-(4-fluorophenyl)-3-[2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylpyrimidin-4-yl]pyridazin-4-one Traditional Name: 1-(4-fluorophenyl)-3-[2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]pyrimidin-4-yl]pyridazin-4-one Formula: C22H14FN5O4S MolecularWeight: 463.441063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC=CC(=N2)C3=NN(C=CC3=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC=CC(=N2)C3=NN(C=CC3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H14FN5O4S/c23-15-4-6-16(7-5-15)27-11-9-19(29)21(26-27)18-8-10-24-22(25-18)33-13-20(30)14-2-1-3-17(12-14)28(31)32/h1-12H,13H2