2-[6-ethanoyl-2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-pyridazin-4-yl]sulfanylbenzoic acid

Systemtic Name: 2-[6-ethanoyl-2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-pyridazin-4-yl]sulfanylbenzoic acid Openeye Name: 2-[6-acetyl-2-(4-fluorophenyl)-5-methyl-3-oxo-pyridazin-4-yl]sulfanylbenzoic acid CAS Name: 2-[[6-acetyl-2-(4-fluorophenyl)-5-methyl-3-oxo-4-pyridazinyl]thio]benzoic acid IUPAC Name: 2-[6-acetyl-2-(4-fluorophenyl)-5-methyl-3-oxopyridazin-4-yl]sulfanylbenzoic acid Traditional Name: 2-[[6-acetyl-2-(4-fluorophenyl)-3-keto-5-methyl-pyridazin-4-yl]thio]benzoic acid Formula: C20H15FN2O4S MolecularWeight: 398.407503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C(=O)C)C2=CC=C(C=C2)F)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N=C1C(=O)C)C2=CC=C(C=C2)F)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H15FN2O4S/c1-11-17(12(2)24)22-23(14-9-7-13(21)8-10-14)19(25)18(11)28-16-6-4-3-5-15(16)20(26)27/h3-10H,1-2H3,(H,26,27)