5-(4-bromanylthiophen-2-yl)-1-(4-chlorophenyl)-4-ethyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-bromanylthiophen-2-yl)-1-(4-chlorophenyl)-4-ethyl-pyrazole-3-carboxylic acid Openeye Name: 5-(4-bromo-2-thienyl)-1-(4-chlorophenyl)-4-ethyl-pyrazole-3-carboxylic acid CAS Name: 5-(4-bromo-2-thiophenyl)-1-(4-chlorophenyl)-4-ethyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-bromothiophen-2-yl)-1-(4-chlorophenyl)-4-ethylpyrazole-3-carboxylic acid Traditional Name: 5-(4-bromo-2-thienyl)-1-(4-chlorophenyl)-4-ethyl-pyrazole-3-carboxylic acid Formula: C16H12BrClN2O2S MolecularWeight: 411.70068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)Cl)C3=CC(=CS3)Br

Isomeric SMILES

CCC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)Cl)C3=CC(=CS3)Br

InChI

InChI=1S/C16H12BrClN2O2S/c1-2-12-14(16(21)22)19-20(11-5-3-10(18)4-6-11)15(12)13-7-9(17)8-23-13/h3-8H,2H2,1H3,(H,21,22)