methyl 3-(4-bromanylthiophen-2-yl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: methyl 3-(4-bromanylthiophen-2-yl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylate Openeye Name: methyl 3-(4-bromo-2-thienyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: 3-(4-bromo-2-thiophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-bromothiophen-2-yl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylate Traditional Name: 5-(4-bromo-2-thienyl)-1-(2,4-dichlorophenyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C15H11BrCl2N2O2S MolecularWeight: 434.13504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(C1)C2=CC(=CS2)Br)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=NN(C(C1)C2=CC(=CS2)Br)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C15H11BrCl2N2O2S/c1-22-15(21)11-6-13(14-4-8(16)7-23-14)20(19-11)12-3-2-9(17)5-10(12)18/h2-5,7,13H,6H2,1H3