3-(pyridin-4-ylmethylsulfanyl)pyrazine-2-carboxylic acid

Systemtic Name: 3-(pyridin-4-ylmethylsulfanyl)pyrazine-2-carboxylic acid Openeye Name: 3-(4-pyridylmethylsulfanyl)pyrazine-2-carboxylic acid CAS Name: 3-(pyridin-4-ylmethylthio)-2-pyrazinecarboxylic acid IUPAC Name: 3-(pyridin-4-ylmethylsulfanyl)pyrazine-2-carboxylic acid Traditional Name: 3-(4-pyridylmethylthio)pyrazinoic acid Formula: C11H9N3O2S MolecularWeight: 247.27306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CSC2=NC=CN=C2C(=O)O

Isomeric SMILES

C1=CN=CC=C1CSC2=NC=CN=C2C(=O)O

InChI

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