2-[[3-(3-bromanyl-4-chloranyl-phenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[3-(3-bromanyl-4-chloranyl-phenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl]sulfanyl]propanoic acid Openeye Name: 2-[[3-(3-bromo-4-chloro-phenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]sulfanyl]propanoic acid CAS Name: 2-[[3-(3-bromo-4-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]thio]propanoic acid IUPAC Name: 2-[[3-(3-bromo-4-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]sulfanyl]propanoic acid Traditional Name: 2-[[3-(3-bromo-4-chloro-phenyl)-6-keto-4,5-dihydro-1H-pyridazin-5-yl]thio]propionic acid Formula: C13H12BrClN2O3S MolecularWeight: 391.66798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1CC(=NNC1=O)C2=CC(=C(C=C2)Cl)Br

Isomeric SMILES

CC(C(=O)O)SC1CC(=NNC1=O)C2=CC(=C(C=C2)Cl)Br

InChI

InChI=1S/C13H12BrClN2O3S/c1-6(13(19)20)21-11-5-10(16-17-12(11)18)7-2-3-9(15)8(14)4-7/h2-4,6,11H,5H2,1H3,(H,17,18)(H,19,20)