methyl 5-[[6-(2-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[6-(2-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[6-(o-tolyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[6-(2-methylphenyl)-3-pyridazinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[6-(2-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[6-(o-tolyl)pyridazin-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(C=C2)SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(C=C2)SCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C18H16N2O3S/c1-12-5-3-4-6-14(12)15-8-10-17(20-19-15)24-11-13-7-9-16(23-13)18(21)22-2/h3-10H,11H2,1-2H3