2-(pyrazin-2-ylmethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(pyrazin-2-ylmethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(pyrazin-2-ylmethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(2-pyrazinylmethylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(pyrazin-2-ylmethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(pyrazin-2-ylmethylthio)nicotinic acid Formula: C11H9N3O2S MolecularWeight: 247.27306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=NC=CN=C2)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=NC=CN=C2)C(=O)O

InChI

InChI=1S/C11H9N3O2S/c15-11(16)9-2-1-3-14-10(9)17-7-8-6-12-4-5-13-8/h1-6H,7H2,(H,15,16)