(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

InChI

InChI=1S/C20H15N3O3S/c1-13(23)16(11-22)17(24)12-26-20(25)15-7-3-5-9-19(15)27-18-8-4-2-6-14(18)10-21/h2-9,16,23H,12H2,1H3