2-[[2,6-bis(chloranyl)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[2,6-bis(chloranyl)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2,6-dichloro-4-pyridyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2,6-dichloro-4-pyridinyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2,6-dichloropyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2,6-dichloro-4-pyridyl)methylthio]nicotinic acid Formula: C12H8Cl2N2O2S MolecularWeight: 315.17512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8Cl2N2O2S/c13-9-4-7(5-10(14)16-9)6-19-11-8(12(17)18)2-1-3-15-11/h1-5H,6H2,(H,17,18)