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

Systemtic Name: 2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(4-pyridylmethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(pyridin-4-ylmethylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(4-pyridylmethylthio)nicotinic acid Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O2S/c15-12(16)10-2-1-5-14-11(10)17-8-9-3-6-13-7-4-9/h1-7H,8H2,(H,15,16)