2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanenitrile

Systemtic Name: 2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanenitrile Openeye Name: 2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetonitrile CAS Name: 2-[[6-(4-nitrophenyl)-3-pyridazinyl]thio]acetonitrile IUPAC Name: 2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetonitrile Traditional Name: 2-[[6-(4-nitrophenyl)pyridazin-3-yl]thio]acetonitrile Formula: C12H8N4O2S MolecularWeight: 272.28252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(C=C2)SCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(C=C2)SCC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O2S/c13-7-8-19-12-6-5-11(14-15-12)9-1-3-10(4-2-9)16(17)18/h1-6H,8H2