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

Systemtic Name: 5-(4-bromanylthiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-pyrazole-3-carboxylic acid Openeye Name: 5-(4-bromo-2-thienyl)-1-(2,4-dichlorophenyl)-4-ethyl-pyrazole-3-carboxylic acid CAS Name: 5-(4-bromo-2-thiophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethylpyrazole-3-carboxylic acid Traditional Name: 5-(4-bromo-2-thienyl)-1-(2,4-dichlorophenyl)-4-ethyl-pyrazole-3-carboxylic acid Formula: C16H11BrCl2N2O2S MolecularWeight: 446.14574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrCl2N2O2S/c1-2-10-14(16(22)23)20-21(12-4-3-9(18)6-11(12)19)15(10)13-5-8(17)7-24-13/h3-7H,2H2,1H3,(H,22,23)