methyl 5-[[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C22H23N3O3S/c1-27-22(26)20-11-9-18(28-20)15-29-21-12-10-19(23-24-21)16-5-7-17(8-6-16)25-13-3-2-4-14-25/h5-12H,2-4,13-15H2,1H3