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

Systemtic Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-methylsulfanyl-phenoxy]ethanenitrile Openeye Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-methylsulfanyl-phenoxy]acetonitrile CAS Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-(methylthio)phenoxy]acetonitrile IUPAC Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-methylsulfanylphenoxy]acetonitrile Traditional Name: 2-[2-(1H-imidazo[4,5-d]pyridazin-2-yl)-5-(methylthio)phenoxy]acetonitrile Formula: C14H11N5OS MolecularWeight: 297.33504

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)C2=NC3=CN=NC=C3N2)OCC#N

Isomeric SMILES

CSC1=CC(=C(C=C1)C2=NC3=CN=NC=C3N2)OCC#N

InChI

InChI=1S/C14H11N5OS/c1-21-9-2-3-10(13(6-9)20-5-4-15)14-18-11-7-16-17-8-12(11)19-14/h2-3,6-8H,5H2,1H3,(H,18,19)