2-[(2-bromanylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-bromanylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2-bromo-4-pyridyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2-bromo-4-pyridinyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-bromopyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2-bromo-4-pyridyl)methylthio]nicotinic acid Formula: C12H9BrN2O2S MolecularWeight: 325.18106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9BrN2O2S/c13-10-6-8(3-5-14-10)7-18-11-9(12(16)17)2-1-4-15-11/h1-6H,7H2,(H,16,17)