2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-methylsulfinyl-phenoxy]ethanenitrile

Systemtic Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-methylsulfinyl-phenoxy]ethanenitrile Openeye Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-methylsulfinyl-phenoxy]acetonitrile CAS Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-methylsulfinylphenoxy]acetonitrile IUPAC Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-methylsulfinylphenoxy]acetonitrile Traditional Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-methylsulfinyl-phenoxy]acetonitrile Formula: C14H11N5O2S MolecularWeight: 313.33444

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC(=C(C=C1)C2=NC3=CN=NC=C3N2)OCC#N

Isomeric SMILES

CS(=O)C1=CC(=C(C=C1)C2=NC3=CN=NC=C3N2)OCC#N

InChI

InChI=1S/C14H11N5O2S/c1-22(20)9-2-3-10(13(6-9)21-5-4-15)14-18-11-7-16-17-8-12(11)19-14/h2-3,6-8H,5H2,1H3,(H,18,19)