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

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[[6-(3-nitrophenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(4-methylpiperidino)-2-[[6-(3-nitrophenyl)pyridazin-3-yl]thio]ethanone Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3S/c1-13-7-9-21(10-8-13)18(23)12-26-17-6-5-16(19-20-17)14-3-2-4-15(11-14)22(24)25/h2-6,11,13H,7-10,12H2,1H3