1-[(4-chlorophenyl)methyl]-4-cyano-5-thiophen-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-cyano-5-thiophen-2-yl-pyrazole-3-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)methyl]-4-cyano-5-(2-thienyl)pyrazole-3-carboxylic acid CAS Name: 1-[(4-chlorophenyl)methyl]-4-cyano-5-thiophen-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-cyano-5-thiophen-2-ylpyrazole-3-carboxylic acid Traditional Name: 1-(4-chlorobenzyl)-4-cyano-5-(2-thienyl)pyrazole-3-carboxylic acid Formula: C16H10ClN3O2S MolecularWeight: 343.7875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C(=NN2CC3=CC=C(C=C3)Cl)C(=O)O)C#N

Isomeric SMILES

C1=CSC(=C1)C2=C(C(=NN2CC3=CC=C(C=C3)Cl)C(=O)O)C#N

InChI

InChI=1S/C16H10ClN3O2S/c17-11-5-3-10(4-6-11)9-20-15(13-2-1-7-23-13)12(8-18)14(19-20)16(21)22/h1-7H,9H2,(H,21,22)