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

Systemtic Name: 2-[3-(1H-imidazo[4,5-d]pyridazin-2-yl)phenyl]sulfanylethanenitrile Openeye Name: 2-[3-(1H-imidazo[4,5-d]pyridazin-2-yl)phenyl]sulfanylacetonitrile CAS Name: 2-[[3-(1H-imidazo[4,5-d]pyridazin-2-yl)phenyl]thio]acetonitrile IUPAC Name: 2-[3-(1H-imidazo[4,5-d]pyridazin-2-yl)phenyl]sulfanylacetonitrile Traditional Name: 2-[[3-(1H-imidazo[4,5-d]pyridazin-2-yl)phenyl]thio]acetonitrile Formula: C13H9N5S MolecularWeight: 267.30906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N5S/c14-4-5-19-10-3-1-2-9(6-10)13-17-11-7-15-16-8-12(11)18-13/h1-3,6-8H,5H2,(H,17,18)