2-[6-[(4-fluorophenyl)methylsulfanyl]-3-methyl-4-oxidanylidene-pyridazin-1-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-fluorophenyl)methylsulfanyl]-3-methyl-4-oxidanylidene-pyridazin-1-yl]ethanoic acid Openeye Name: 2-[6-[(4-fluorophenyl)methylsulfanyl]-3-methyl-4-oxo-pyridazin-1-yl]acetic acid CAS Name: 2-[6-[(4-fluorophenyl)methylthio]-3-methyl-4-oxo-1-pyridazinyl]acetic acid IUPAC Name: 2-[6-[(4-fluorophenyl)methylsulfanyl]-3-methyl-4-oxopyridazin-1-yl]acetic acid Traditional Name: 2-[6-[(4-fluorobenzyl)thio]-4-keto-3-methyl-pyridazin-1-yl]acetic acid Formula: C14H13FN2O3S MolecularWeight: 308.328023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=CC1=O)SCC2=CC=C(C=C2)F)CC(=O)O

Isomeric SMILES

CC1=NN(C(=CC1=O)SCC2=CC=C(C=C2)F)CC(=O)O

InChI

InChI=1S/C14H13FN2O3S/c1-9-12(18)6-13(17(16-9)7-14(19)20)21-8-10-2-4-11(15)5-3-10/h2-6H,7-8H2,1H3,(H,19,20)