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

Systemtic Name: 1-(3-nitrophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(3-nitrophenyl)-2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(3-nitrophenyl)-2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(3-nitrophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(3-nitrophenyl)-2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]ethanone Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3S/c28-22(18-5-4-6-20(15-18)27(29)30)16-31-23-12-11-21(24-25-23)17-7-9-19(10-8-17)26-13-2-1-3-14-26/h4-12,15H,1-3,13-14,16H2