3-[3-(4-methylsulfanylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid

Systemtic Name: 3-[3-(4-methylsulfanylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Openeye Name: 3-[3-(4-methylsulfanylphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid CAS Name: 3-[3-[4-(methylthio)phenyl]-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid IUPAC Name: 3-[3-(4-methylsulfanylphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Traditional Name: 3-[6-keto-3-[4-(methylthio)phenyl]-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Formula: C18H17N2O3S+ MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=[N+](NC(=O)CC2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=[N+](NC(=O)CC2)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H16N2O3S/c1-24-15-7-5-12(6-8-15)16-9-10-17(21)19-20(16)14-4-2-3-13(11-14)18(22)23/h2-8,11H,9-10H2,1H3,(H-,19,21,22,23)/p+1