2-[(E)-3-chloranylprop-2-enyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[(E)-3-chloranylprop-2-enyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(E)-3-chloroallyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[(E)-3-chloroprop-2-enyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(E)-3-chloroprop-2-enyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[(E)-3-chloroallyl]thio]nicotinic acid Formula: C9H8ClNO2S MolecularWeight: 229.68332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC=CCl)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SC/C=C/Cl)C(=O)O

InChI

InChI=1S/C9H8ClNO2S/c10-4-2-6-14-8-7(9(12)13)3-1-5-11-8/h1-5H,6H2,(H,12,13)/b4-2+