2-(2-methyl-3-oxidanyl-5-oxidanylidene-6-phenyl-pyridazin-4-yl)sulfanylbenzoic acid

Systemtic Name: 2-(2-methyl-3-oxidanyl-5-oxidanylidene-6-phenyl-pyridazin-4-yl)sulfanylbenzoic acid Openeye Name: 2-(3-hydroxy-2-methyl-5-oxo-6-phenyl-pyridazin-4-yl)sulfanylbenzoic acid CAS Name: 2-[(3-hydroxy-2-methyl-5-oxo-6-phenyl-4-pyridazinyl)thio]benzoic acid IUPAC Name: 2-(3-hydroxy-2-methyl-5-oxo-6-phenylpyridazin-4-yl)sulfanylbenzoic acid Traditional Name: 2-[(3-hydroxy-5-keto-2-methyl-6-phenyl-pyridazin-4-yl)thio]benzoic acid Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)C(=N1)C2=CC=CC=C2)SC3=CC=CC=C3C(=O)O)O

Isomeric SMILES

CN1C(=C(C(=O)C(=N1)C2=CC=CC=C2)SC3=CC=CC=C3C(=O)O)O

InChI

InChI=1S/C18H14N2O4S/c1-20-17(22)16(25-13-10-6-5-9-12(13)18(23)24)15(21)14(19-20)11-7-3-2-4-8-11/h2-10,22H,1H3,(H,23,24)