N-(4-fluoranyl-3-nitro-phenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[[6-(3-nitrophenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[[6-(3-nitrophenyl)pyridazin-3-yl]thio]acetamide Formula: C18H12FN5O5S MolecularWeight: 429.381783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H12FN5O5S/c19-14-5-4-12(9-16(14)24(28)29)20-17(25)10-30-18-7-6-15(21-22-18)11-2-1-3-13(8-11)23(26)27/h1-9H,10H2,(H,20,25)