4-(5-cyano-4-propyl-6-sulfanylidene-1H-pyridin-2-yl)piperidine-1-carboxylic acid

Systemtic Name: 4-(5-cyano-4-propyl-6-sulfanylidene-1H-pyridin-2-yl)piperidine-1-carboxylic acid Openeye Name: 4-(5-cyano-4-propyl-6-thioxo-1H-pyridin-2-yl)piperidine-1-carboxylic acid CAS Name: 4-(5-cyano-4-propyl-6-sulfanylidene-1H-pyridin-2-yl)-1-piperidinecarboxylic acid IUPAC Name: 4-(5-cyano-4-propyl-6-sulfanylidene-1H-pyridin-2-yl)piperidine-1-carboxylic acid Traditional Name: 4-(5-cyano-4-propyl-6-thioxo-1H-pyridin-2-yl)piperidine-1-carboxylic acid Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=S)NC(=C1)C2CCN(CC2)C(=O)O)C#N

Isomeric SMILES

CCCC1=C(C(=S)NC(=C1)C2CCN(CC2)C(=O)O)C#N

InChI

InChI=1S/C15H19N3O2S/c1-2-3-11-8-13(17-14(21)12(11)9-16)10-4-6-18(7-5-10)15(19)20/h8,10H,2-7H2,1H3,(H,17,21)(H,19,20)