(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C23H16BrN3O3S MolecularWeight: 494.36044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H16BrN3O3S/c1-2-29-20-12-15(14-25)11-17(24)22(20)30-23(28)19-13-18(21-9-6-10-31-21)26-27(19)16-7-4-3-5-8-16/h3-13H,2H2,1H3