(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=C(N=CC=C1)SC

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=C(N=CC=C1)SC

InChI

InChI=1S/C13H13N3O3S/c1-8(15)10(6-14)11(17)7-19-13(18)9-4-3-5-16-12(9)20-2/h3-5,10,15H,7H2,1-2H3