N-(3,5-dimethylphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-1-[6-(p-tolylsulfanyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-(3,5-dimethylphenyl)-1-[6-[(4-methylphenyl)thio]-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-1-[6-(p-tolylthio)pyridazin-3-yl]isonipecotamide Formula: C25H28N4OS MolecularWeight: 432.58102

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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(=CC(=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4OS/c1-17-4-6-22(7-5-17)31-24-9-8-23(27-28-24)29-12-10-20(11-13-29)25(30)26-21-15-18(2)14-19(3)16-21/h4-9,14-16,20H,10-13H2,1-3H3,(H,26,30)