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

Systemtic Name: 5-(5-bromanylthiophen-2-yl)-1-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-(5-bromo-2-thienyl)-1-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxylic acid CAS Name: 5-(5-bromo-2-thiophenyl)-1-(4-chlorophenyl)-4-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(5-bromothiophen-2-yl)-1-(4-chlorophenyl)-4-methylpyrazole-3-carboxylic acid Traditional Name: 5-(5-bromo-2-thienyl)-1-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxylic acid Formula: C15H10BrClN2O2S MolecularWeight: 397.6741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)Cl)C3=CC=C(S3)Br

Isomeric SMILES

CC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)Cl)C3=CC=C(S3)Br

InChI

InChI=1S/C15H10BrClN2O2S/c1-8-13(15(20)21)18-19(10-4-2-9(17)3-5-10)14(8)11-6-7-12(16)22-11/h2-7H,1H3,(H,20,21)