4-(3-cyanopropylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 4-(3-cyanopropylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 4-(3-cyanopropylsulfanyl)pyridine-3-carboxylic acid CAS Name: 4-(3-cyanopropylthio)-3-pyridinecarboxylic acid IUPAC Name: 4-(3-cyanopropylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 4-(3-cyanopropylthio)nicotinic acid Formula: C10H10N2O2S MolecularWeight: 222.2636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC(=C1SCCCC#N)C(=O)O

Isomeric SMILES

C1=CN=CC(=C1SCCCC#N)C(=O)O

InChI

InChI=1S/C10H10N2O2S/c11-4-1-2-6-15-9-3-5-12-7-8(9)10(13)14/h3,5,7H,1-2,6H2,(H,13,14)