4-(2-chloroethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 4-(2-chloroethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 4-(2-chloroethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 4-(2-chloroethylthio)-3-pyridinecarboxylic acid IUPAC Name: 4-(2-chloroethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 4-(2-chloroethylthio)nicotinic acid Formula: C8H8ClNO2S MolecularWeight: 217.67262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC(=C1SCCCl)C(=O)O

Isomeric SMILES

C1=CN=CC(=C1SCCCl)C(=O)O

InChI

InChI=1S/C8H8ClNO2S/c9-2-4-13-7-1-3-10-5-6(7)8(11)12/h1,3,5H,2,4H2,(H,11,12)