N-(4-ethylphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)SC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)SC4=CC=C(C=C4)C

InChI

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