(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-13(23)18(10-22)19(24)11-26-20(25)15-4-2-14(3-5-15)12-27-17-8-6-16(21)7-9-17/h2-9,18,23H,11-12H2,1H3