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

Systemtic Name: ethyl 3-(4-bromanylthiophen-2-yl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H13BrCl2N2O2S MolecularWeight: 448.16162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrCl2N2O2S/c1-2-23-16(22)12-7-14(15-5-9(17)8-24-15)21(20-12)13-4-3-10(18)6-11(13)19/h3-6,8,14H,2,7H2,1H3