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

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-1-[6-(p-tolylsulfanyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-1-[6-[(4-methylphenyl)thio]-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-1-[6-(p-tolylthio)pyridazin-3-yl]isonipecotamide Formula: C24H25FN4OS MolecularWeight: 436.544903

Click to see the large picture

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)C)F

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN4OS/c1-16-3-7-20(8-4-16)31-23-10-9-22(27-28-23)29-13-11-18(12-14-29)24(30)26-19-6-5-17(2)21(25)15-19/h3-10,15,18H,11-14H2,1-2H3,(H,26,30)