2-(3-methylbut-2-enylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(3-methylbut-2-enylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(3-methylbut-2-enylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(3-methylbut-2-enylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(3-methylbut-2-enylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(3-methylbut-2-enylthio)nicotinic acid Formula: C11H13NO2S MolecularWeight: 223.29142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=C(C=CC=N1)C(=O)O)C

Isomeric SMILES

CC(=CCSC1=C(C=CC=N1)C(=O)O)C

InChI

InChI=1S/C11H13NO2S/c1-8(2)5-7-15-10-9(11(13)14)4-3-6-12-10/h3-6H,7H2,1-2H3,(H,13,14)