1-(6-chloranylpyridazin-3-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide Openeye Name: 1-(6-chloropyridazin-3-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide CAS Name: 1-(6-chloro-3-pyridazinyl)-N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(6-chloropyridazin-3-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-[2-[(2-cyanobenzyl)thio]ethyl]nipecotamide Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NN=C(C=C2)Cl)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1CC(CN(C1)C2=NN=C(C=C2)Cl)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H22ClN5OS/c21-18-7-8-19(25-24-18)26-10-3-6-16(13-26)20(27)23-9-11-28-14-17-5-2-1-4-15(17)12-22/h1-2,4-5,7-8,16H,3,6,9-11,13-14H2,(H,23,27)