2-(3-cyano-6-pyridin-3-yl-pyridin-2-yl)sulfanylpropanoic acid

Systemtic Name: 2-(3-cyano-6-pyridin-3-yl-pyridin-2-yl)sulfanylpropanoic acid Openeye Name: 2-[[3-cyano-6-(3-pyridyl)-2-pyridyl]sulfanyl]propanoic acid CAS Name: 2-[[3-cyano-6-(3-pyridinyl)-2-pyridinyl]thio]propanoic acid IUPAC Name: 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylpropanoic acid Traditional Name: 2-[[3-cyano-6-(3-pyridyl)-2-pyridyl]thio]propionic acid Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C=CC(=N1)C2=CN=CC=C2)C#N

Isomeric SMILES

CC(C(=O)O)SC1=C(C=CC(=N1)C2=CN=CC=C2)C#N

InChI

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