2-[3-(1H-imidazo[4,5-d]pyridazin-2-yl)phenyl]sulfinylethanenitrile

Systemtic Name: 2-[3-(1H-imidazo[4,5-d]pyridazin-2-yl)phenyl]sulfinylethanenitrile Openeye Name: 2-[3-(1H-imidazo[4,5-d]pyridazin-2-yl)phenyl]sulfinylacetonitrile CAS Name: 2-[3-(1H-imidazo[4,5-d]pyridazin-2-yl)phenyl]sulfinylacetonitrile IUPAC Name: 2-[3-(1H-imidazo[4,5-d]pyridazin-2-yl)phenyl]sulfinylacetonitrile Traditional Name: 2-[3-(1H-imidazo[4,5-d]pyridazin-2-yl)phenyl]sulfinylacetonitrile Formula: C13H9N5OS MolecularWeight: 283.30846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)CC#N)C2=NC3=CN=NC=C3N2

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)CC#N)C2=NC3=CN=NC=C3N2

InChI

InChI=1S/C13H9N5OS/c14-4-5-20(19)10-3-1-2-9(6-10)13-17-11-7-15-16-8-12(11)18-13/h1-3,6-8H,5H2,(H,17,18)