2-[4-(1H-imidazo[4,5-d]pyridazin-2-yl)-3-methylsulfanyl-phenoxy]ethanenitrile

Systemtic Name: 2-[4-(1H-imidazo[4,5-d]pyridazin-2-yl)-3-methylsulfanyl-phenoxy]ethanenitrile Openeye Name: 2-[4-(1H-imidazo[4,5-d]pyridazin-2-yl)-3-methylsulfanyl-phenoxy]acetonitrile CAS Name: 2-[4-(1H-imidazo[4,5-d]pyridazin-2-yl)-3-(methylthio)phenoxy]acetonitrile IUPAC Name: 2-[4-(1H-imidazo[4,5-d]pyridazin-2-yl)-3-methylsulfanylphenoxy]acetonitrile Traditional Name: 2-[4-(1H-imidazo[4,5-d]pyridazin-2-yl)-3-(methylthio)phenoxy]acetonitrile Formula: C14H11N5OS MolecularWeight: 297.33504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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