3-[[3-(3,4-dichlorophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[3-(3,4-dichlorophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl]sulfanyl]propanoic acid Openeye Name: 3-[[3-(3,4-dichlorophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]sulfanyl]propanoic acid CAS Name: 3-[[3-(3,4-dichlorophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]thio]propanoic acid IUPAC Name: 3-[[3-(3,4-dichlorophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]sulfanyl]propanoic acid Traditional Name: 3-[[3-(3,4-dichlorophenyl)-6-keto-4,5-dihydro-1H-pyridazin-5-yl]thio]propionic acid Formula: C13H12Cl2N2O3S MolecularWeight: 347.21698

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NN=C1C2=CC(=C(C=C2)Cl)Cl)SCCC(=O)O

Isomeric SMILES

C1C(C(=O)NN=C1C2=CC(=C(C=C2)Cl)Cl)SCCC(=O)O

InChI

InChI=1S/C13H12Cl2N2O3S/c14-8-2-1-7(5-9(8)15)10-6-11(13(20)17-16-10)21-4-3-12(18)19/h1-2,5,11H,3-4,6H2,(H,17,20)(H,18,19)