cyanomethyl 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: cyanomethyl 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: cyanomethyl 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid cyanomethyl ester Formula: C16H11N3O2S MolecularWeight: 309.34244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC#N

InChI

InChI=1S/C16H11N3O2S/c17-8-9-21-16(20)14-11-13(15-7-4-10-22-15)18-19(14)12-5-2-1-3-6-12/h1-7,10-11H,9H2