4-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylic acid

Systemtic Name: 4-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylic acid Openeye Name: 4-[(3-fluorophenyl)methylsulfanyl]-6-oxo-1-(p-tolyl)pyridazine-3-carboxylic acid CAS Name: 4-[(3-fluorophenyl)methylthio]-1-(4-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid IUPAC Name: 4-[(3-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid Traditional Name: 4-[(3-fluorobenzyl)thio]-6-keto-1-(p-tolyl)pyridazine-3-carboxylic acid Formula: C19H15FN2O3S MolecularWeight: 370.397403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C(=O)O)SCC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C(=O)O)SCC3=CC(=CC=C3)F

InChI

InChI=1S/C19H15FN2O3S/c1-12-5-7-15(8-6-12)22-17(23)10-16(18(21-22)19(24)25)26-11-13-3-2-4-14(20)9-13/h2-10H,11H2,1H3,(H,24,25)