5-(4-bromanylthiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-bromanylthiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-(4-bromo-2-thienyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylic acid CAS Name: 5-(4-bromo-2-thiophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylic acid Traditional Name: 5-(4-bromo-2-thienyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylic acid Formula: C15H9BrCl2N2O2S MolecularWeight: 432.11916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)O)C2=C(C=C(C=C2)Cl)Cl)C3=CC(=CS3)Br

Isomeric SMILES

CC1=C(N(N=C1C(=O)O)C2=C(C=C(C=C2)Cl)Cl)C3=CC(=CS3)Br

InChI

InChI=1S/C15H9BrCl2N2O2S/c1-7-13(15(21)22)19-20(11-3-2-9(17)5-10(11)18)14(7)12-4-8(16)6-23-12/h2-6H,1H3,(H,21,22)