[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h2-10H,12,22H2,1H3/b15-13+