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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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