methyl 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanoate

Systemtic Name: methyl 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanoate Openeye Name: methyl 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetate CAS Name: 2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetate Traditional Name: 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]acetic acid methyl ester Formula: C12H14N4O2S MolecularWeight: 278.33016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O2S/c1-8-6-9(2)16(15-8)10-4-5-11(14-13-10)19-7-12(17)18-3/h4-6H,7H2,1-3H3