N-(4-chlorophenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide

Systemtic Name: N-(4-chlorophenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide Openeye Name: N-(4-chlorophenyl)-1-[6-(p-tolylsulfanyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-(4-chlorophenyl)-1-[6-[(4-methylphenyl)thio]-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-(4-chlorophenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide Traditional Name: N-(4-chlorophenyl)-1-[6-(p-tolylthio)pyridazin-3-yl]isonipecotamide Formula: C23H23ClN4OS MolecularWeight: 438.97292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN4OS/c1-16-2-8-20(9-3-16)30-22-11-10-21(26-27-22)28-14-12-17(13-15-28)23(29)25-19-6-4-18(24)5-7-19/h2-11,17H,12-15H2,1H3,(H,25,29)