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

Systemtic Name: 2-phenoxyethyl 1-[6-(4-propan-2-ylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate Openeye Name: 2-phenoxyethyl 1-[6-(4-isopropylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(4-propan-2-ylphenyl)thio]-3-pyridazinyl]-4-piperidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 1-[6-(4-propan-2-ylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(p-cumenylthio)pyridazin-3-yl]isonipecotic acid 2-phenoxyethyl ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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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)OCCOC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCC(CC3)C(=O)OCCOC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-20(2)21-8-10-24(11-9-21)34-26-13-12-25(28-29-26)30-16-14-22(15-17-30)27(31)33-19-18-32-23-6-4-3-5-7-23/h3-13,20,22H,14-19H2,1-2H3