4-[[5-ethanoyl-2-ethyl-6-(4-methylsulfanylphenyl)-3-oxidanylidene-pyridazin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-ethanoyl-2-ethyl-6-(4-methylsulfanylphenyl)-3-oxidanylidene-pyridazin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-acetyl-2-ethyl-6-(4-methylsulfanylphenyl)-3-oxo-pyridazin-4-yl]amino]benzoic acid CAS Name: 4-[[5-acetyl-2-ethyl-6-[4-(methylthio)phenyl]-3-oxo-4-pyridazinyl]amino]benzoic acid IUPAC Name: 4-[[5-acetyl-2-ethyl-6-(4-methylsulfanylphenyl)-3-oxopyridazin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-acetyl-2-ethyl-3-keto-6-[4-(methylthio)phenyl]pyridazin-4-yl]amino]benzoic acid Formula: C22H21N3O4S MolecularWeight: 423.48484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)SC)C(=O)C)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)SC)C(=O)C)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H21N3O4S/c1-4-25-21(27)20(23-16-9-5-15(6-10-16)22(28)29)18(13(2)26)19(24-25)14-7-11-17(30-3)12-8-14/h5-12,23H,4H2,1-3H3,(H,28,29)