N-(4-fluoranyl-3-nitro-phenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[[6-(2,4,5-trimethylphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]thio]acetamide Formula: C21H19FN4O3S MolecularWeight: 426.463963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H19FN4O3S/c1-12-8-14(3)16(9-13(12)2)18-6-7-21(25-24-18)30-11-20(27)23-15-4-5-17(22)19(10-15)26(28)29/h4-10H,11H2,1-3H3,(H,23,27)