2-[4-(1H-imidazo[4,5-b]pyrazin-2-yl)-3-methylsulfinyl-phenoxy]ethanenitrile

Systemtic Name: 2-[4-(1H-imidazo[4,5-b]pyrazin-2-yl)-3-methylsulfinyl-phenoxy]ethanenitrile Openeye Name: 2-[4-(1H-imidazo[4,5-b]pyrazin-2-yl)-3-methylsulfinyl-phenoxy]acetonitrile CAS Name: 2-[4-(1H-imidazo[4,5-b]pyrazin-2-yl)-3-methylsulfinylphenoxy]acetonitrile IUPAC Name: 2-[4-(1H-imidazo[4,5-b]pyrazin-2-yl)-3-methylsulfinylphenoxy]acetonitrile Traditional Name: 2-[4-(1H-imidazo[4,5-b]pyrazin-2-yl)-3-methylsulfinyl-phenoxy]acetonitrile Formula: C14H11N5O2S MolecularWeight: 313.33444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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