N-(3-chloranyl-4-fluoranyl-phenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-[6-(p-tolylsulfanyl)pyridazin-3-yl]piperidine-3-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-[6-[(4-methylphenyl)thio]-3-pyridazinyl]-3-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-[6-(p-tolylthio)pyridazin-3-yl]nipecotamide Formula: C23H22ClFN4OS MolecularWeight: 456.963383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCCC(C3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCCC(C3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H22ClFN4OS/c1-15-4-7-18(8-5-15)31-22-11-10-21(27-28-22)29-12-2-3-16(14-29)23(30)26-17-6-9-20(25)19(24)13-17/h4-11,13,16H,2-3,12,14H2,1H3,(H,26,30)