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

Systemtic Name: 2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[6-(4-nitrophenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[6-(4-nitrophenyl)pyridazin-3-yl]thio]-1-pyrrolidino-ethanone Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O3S/c21-16(19-9-1-2-10-19)11-24-15-8-7-14(17-18-15)12-3-5-13(6-4-12)20(22)23/h3-8H,1-2,9-11H2