ethyl 1-[2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[6-(4-fluorophenyl)-3-pyridazinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C20H22FN3O3S MolecularWeight: 403.470383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O3S/c1-2-27-20(26)15-4-3-11-24(12-15)19(25)13-28-18-10-9-17(22-23-18)14-5-7-16(21)8-6-14/h5-10,15H,2-4,11-13H2,1H3