(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H16N4O3S/c1-13(22)15(10-21)17(25)12-27-20(26)16-11-24(14-6-3-2-4-7-14)23-19(16)18-8-5-9-28-18/h2-9,11,15,22H,12H2,1H3