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

Systemtic Name: 2-(4-thiocyanatobutyl)pyridine-3-carboxylic acid Openeye Name: 2-(4-thiocyanatobutyl)pyridine-3-carboxylic acid CAS Name: 2-(4-thiocyanatobutyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(4-thiocyanatobutyl)pyridine-3-carboxylic acid Traditional Name: 2-(4-thiocyanatobutyl)nicotinic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CCCCSC#N)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)CCCCSC#N)C(=O)O

InChI

InChI=1S/C11H12N2O2S/c12-8-16-7-2-1-5-10-9(11(14)15)4-3-6-13-10/h3-4,6H,1-2,5,7H2,(H,14,15)