N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide Openeye Name: N-(2,4-dimethoxyphenyl)-1-[6-(p-tolylsulfanyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-(2,4-dimethoxyphenyl)-1-[6-[(4-methylphenyl)thio]-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide Traditional Name: N-(2,4-dimethoxyphenyl)-1-[6-(p-tolylthio)pyridazin-3-yl]isonipecotamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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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=C(C=C(C=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3S/c1-17-4-7-20(8-5-17)33-24-11-10-23(27-28-24)29-14-12-18(13-15-29)25(30)26-21-9-6-19(31-2)16-22(21)32-3/h4-11,16,18H,12-15H2,1-3H3,(H,26,30)