5-(4-ethylsulfanylphenyl)pyridine-3-carboxylic acid

Systemtic Name: 5-(4-ethylsulfanylphenyl)pyridine-3-carboxylic acid Openeye Name: 5-(4-ethylsulfanylphenyl)pyridine-3-carboxylic acid CAS Name: 5-[4-(ethylthio)phenyl]-3-pyridinecarboxylic acid IUPAC Name: 5-(4-ethylsulfanylphenyl)pyridine-3-carboxylic acid Traditional Name: 5-[4-(ethylthio)phenyl]nicotinic acid Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)O

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)O

InChI

InChI=1S/C14H13NO2S/c1-2-18-13-5-3-10(4-6-13)11-7-12(14(16)17)9-15-8-11/h3-9H,2H2,1H3,(H,16,17)