2-(6-cyanopyridin-2-yl)ethanethioic S-acid

Systemtic Name: 2-(6-cyanopyridin-2-yl)ethanethioic S-acid Openeye Name: 2-(6-cyano-2-pyridyl)ethanethioic S-acid CAS Name: 2-(6-cyano-2-pyridinyl)ethanethioic S-acid IUPAC Name: 2-(6-cyanopyridin-2-yl)ethanethioic S-acid Traditional Name: 2-(6-cyano-2-pyridyl)thioacetic acid Formula: C8H6N2OS MolecularWeight: 178.21104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)CC(=O)S)C#N

Isomeric SMILES

C1=CC(=NC(=C1)CC(=O)S)C#N

InChI

InChI=1S/C8H6N2OS/c9-5-7-3-1-2-6(10-7)4-8(11)12/h1-3H,4H2,(H,11,12)