(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2-chlorophenyl)thio]-3-pyridinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-chlorophenyl)thio]nicotinic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H14ClN3O3S MolecularWeight: 387.84006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2Cl

InChI

InChI=1S/C18H14ClN3O3S/c1-11(21)13(9-20)15(23)10-25-18(24)12-5-4-8-22-17(12)26-16-7-3-2-6-14(16)19/h2-8,13,21H,10H2,1H3