(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-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=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

InChI

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