1-[4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxamide CAS Name: 1-[[4-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxamide Traditional Name: 1-[4-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]benzoyl]isonipecotamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C25H26N4O2S/c1-17-2-6-19(7-3-17)22-10-11-23(28-27-22)32-16-18-4-8-21(9-5-18)25(31)29-14-12-20(13-15-29)24(26)30/h2-11,20H,12-16H2,1H3,(H2,26,30)