2-(3-cyano-6-methyl-4-pyridin-3-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: 2-(3-cyano-6-methyl-4-pyridin-3-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: 2-[[3-cyano-6-methyl-4-(3-pyridyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-methyl-4-(3-pyridinyl)-2-pyridinyl]thio]acetate IUPAC Name: 2-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[[3-cyano-6-methyl-4-(3-pyridyl)-2-pyridyl]thio]acetate Formula: C14H10N3O2S- MolecularWeight: 284.3131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)SCC(=O)[O-]

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)SCC(=O)[O-]

InChI

InChI=1S/C14H11N3O2S/c1-9-5-11(10-3-2-4-16-7-10)12(6-15)14(17-9)20-8-13(18)19/h2-5,7H,8H2,1H3,(H,18,19)/p-1