2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanenitrile

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanenitrile Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylacetonitrile CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]acetonitrile IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylacetonitrile Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]acetonitrile Formula: C13H9N3O2S MolecularWeight: 271.29446

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(C=C3)SCC#N

InChI

InChI=1S/C13H9N3O2S/c14-5-6-19-13-4-2-10(15-16-13)9-1-3-11-12(7-9)18-8-17-11/h1-4,7H,6,8H2