methyl 3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanoate Openeye Name: methyl 3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanoate CAS Name: 3-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanoate Traditional Name: 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]propionic acid methyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCCC(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCCC(=O)OC)C

InChI

InChI=1S/C13H16N4O2S/c1-9-8-10(2)17(16-9)11-4-5-12(15-14-11)20-7-6-13(18)19-3/h4-5,8H,6-7H2,1-3H3