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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)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)21-7-4-14-30(16-21)25(31)20-6-3-5-18(15-20)17-34-24-13-12-23(28-29-24)19-8-10-22(27)11-9-19/h3,5-6,8-13,15,21H,2,4,7,14,16-17H2,1H3