ethyl 1-[3-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-[[[6-(4-chlorophenyl)-3-pyridazinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[[[6-(4-chlorophenyl)pyridazin-3-yl]thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C26H26ClN3O3S MolecularWeight: 496.02094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN3O3S/c1-2-33-26(32)20-12-14-30(15-13-20)25(31)21-5-3-4-18(16-21)17-34-24-11-10-23(28-29-24)19-6-8-22(27)9-7-19/h3-11,16,20H,2,12-15,17H2,1H3