N-(4-nitrophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-nitrophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(4-nitrophenyl)-2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(4-nitrophenyl)-2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-(4-nitrophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(4-nitrophenyl)-2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]acetamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C3=NN=C(C=C3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C3=NN=C(C=C3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O3S/c29-22(24-18-6-10-20(11-7-18)28(30)31)16-32-23-13-12-21(25-26-23)17-4-8-19(9-5-17)27-14-2-1-3-15-27/h4-13H,1-3,14-16H2,(H,24,29)