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

Systemtic Name: 5-(4-bromanylthiophen-2-yl)-1-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-(4-bromo-2-thienyl)-1-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxylic acid CAS Name: 5-(4-bromo-2-thiophenyl)-1-(4-chlorophenyl)-4-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-bromothiophen-2-yl)-1-(4-chlorophenyl)-4-methylpyrazole-3-carboxylic acid Traditional Name: 5-(4-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(=CS3)Br

Isomeric SMILES

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

InChI

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