ethyl 1-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[3-[[(6-phenyl-3-pyridazinyl)thio]methyl]phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[[(6-phenylpyridazin-3-yl)thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S/c1-2-32-26(31)22-12-7-15-29(17-22)25(30)21-11-6-8-19(16-21)18-33-24-14-13-23(27-28-24)20-9-4-3-5-10-20/h3-6,8-11,13-14,16,22H,2,7,12,15,17-18H2,1H3