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

Systemtic Name: 5-(5-bromanylthiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-pyrazole-3-carboxylic acid Openeye Name: 5-(5-bromo-2-thienyl)-1-(2,4-dichlorophenyl)-4-ethyl-pyrazole-3-carboxylic acid CAS Name: 5-(5-bromo-2-thiophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethylpyrazole-3-carboxylic acid Traditional Name: 5-(5-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=C(S3)Br

Isomeric SMILES

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

InChI

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