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

Systemtic Name: 1-[3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxamide CAS Name: 1-[[3-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxamide Traditional Name: 1-[3-[[[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=CC(=C3)C(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

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

InChI

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