2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-fluoro-3-nitro-phenyl)acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]-N-(4-fluoro-3-nitrophenyl)acetamide IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]-N-(4-fluoro-3-nitro-phenyl)acetamide Formula: C19H13FN4O5S MolecularWeight: 428.393723

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C19H13FN4O5S/c20-13-3-2-12(8-15(13)24(26)27)21-18(25)9-30-19-6-4-14(22-23-19)11-1-5-16-17(7-11)29-10-28-16/h1-8H,9-10H2,(H,21,25)