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

Systemtic Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluoro-3-nitro-phenyl)acetamide CAS Name: 2-[[6-(2,5-dimethylphenyl)-3-pyridazinyl]thio]-N-(4-fluoro-3-nitrophenyl)acetamide IUPAC Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide Traditional Name: 2-[[6-(2,5-dimethylphenyl)pyridazin-3-yl]thio]-N-(4-fluoro-3-nitro-phenyl)acetamide Formula: C20H17FN4O3S MolecularWeight: 412.437383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H17FN4O3S/c1-12-3-4-13(2)15(9-12)17-7-8-20(24-23-17)29-11-19(26)22-14-5-6-16(21)18(10-14)25(27)28/h3-10H,11H2,1-2H3,(H,22,26)