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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)Cl)C3=CC=C(S3)Br

Isomeric SMILES

CCC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)Cl)C3=CC=C(S3)Br

InChI

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