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

Systemtic Name: N-(4-ethoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide Openeye Name: N-(4-ethoxyphenyl)-1-[6-(p-tolylsulfanyl)pyridazin-3-yl]piperidine-3-carboxamide CAS Name: N-(4-ethoxyphenyl)-1-[6-[(4-methylphenyl)thio]-3-pyridazinyl]-3-piperidinecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide Traditional Name: N-p-phenetyl-1-[6-(p-tolylthio)pyridazin-3-yl]nipecotamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)SC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)SC4=CC=C(C=C4)C

InChI

InChI=1S/C25H28N4O2S/c1-3-31-21-10-8-20(9-11-21)26-25(30)19-5-4-16-29(17-19)23-14-15-24(28-27-23)32-22-12-6-18(2)7-13-22/h6-15,19H,3-5,16-17H2,1-2H3,(H,26,30)