2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanoate

Systemtic Name: 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanoate Openeye Name: 2-[6-(p-tolyl)pyridazin-3-yl]sulfanylacetate CAS Name: 2-[[6-(4-methylphenyl)-3-pyridazinyl]thio]acetate IUPAC Name: 2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetate Traditional Name: 2-[[6-(p-tolyl)pyridazin-3-yl]thio]acetate Formula: C13H11N2O2S- MolecularWeight: 259.30364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)[O-]

InChI

InChI=1S/C13H12N2O2S/c1-9-2-4-10(5-3-9)11-6-7-12(15-14-11)18-8-13(16)17/h2-7H,8H2,1H3,(H,16,17)/p-1