(3-chlorophenyl)methyl 1-[6-(4-propan-2-ylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate

Systemtic Name: (3-chlorophenyl)methyl 1-[6-(4-propan-2-ylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate Openeye Name: (3-chlorophenyl)methyl 1-[6-(4-isopropylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(4-propan-2-ylphenyl)thio]-3-pyridazinyl]-4-piperidinecarboxylic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 1-[6-(4-propan-2-ylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(p-cumenylthio)pyridazin-3-yl]isonipecotic acid (3-chlorobenzyl) ester Formula: C26H28ClN3O2S MolecularWeight: 482.03742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCC(CC3)C(=O)OCC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCC(CC3)C(=O)OCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H28ClN3O2S/c1-18(2)20-6-8-23(9-7-20)33-25-11-10-24(28-29-25)30-14-12-21(13-15-30)26(31)32-17-19-4-3-5-22(27)16-19/h3-11,16,18,21H,12-15,17H2,1-2H3