3-(4-bromanylthiophen-2-yl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid

Systemtic Name: 3-(4-bromanylthiophen-2-yl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid Openeye Name: 3-(4-bromo-2-thienyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid CAS Name: 3-(4-bromo-2-thiophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid IUPAC Name: 3-(4-bromothiophen-2-yl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid Traditional Name: 5-(4-bromo-2-thienyl)-1-(2,4-dichlorophenyl)-2-pyrazoline-3-carboxylic acid Formula: C14H9BrCl2N2O2S MolecularWeight: 420.10846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrCl2N2O2S/c15-7-3-13(22-6-7)12-5-10(14(20)21)18-19(12)11-2-1-8(16)4-9(11)17/h1-4,6,12H,5H2,(H,20,21)