methyl 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC3=C(OC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC3=C(OC=C3)C(=O)OC)C

InChI

InChI=1S/C16H16N4O3S/c1-10-8-11(2)20(19-10)13-4-5-14(18-17-13)24-9-12-6-7-23-15(12)16(21)22-3/h4-8H,9H2,1-3H3