5-(4-bromanylthiophen-2-yl)-4-ethyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-bromanylthiophen-2-yl)-4-ethyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 5-(4-bromo-2-thienyl)-4-ethyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 5-(4-bromo-2-thiophenyl)-4-ethyl-1-(4-methoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-bromothiophen-2-yl)-4-ethyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(4-bromo-2-thienyl)-4-ethyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)OC)C3=CC(=CS3)Br

Isomeric SMILES

CCC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)OC)C3=CC(=CS3)Br

InChI

InChI=1S/C17H15BrN2O3S/c1-3-13-15(17(21)22)19-20(11-4-6-12(23-2)7-5-11)16(13)14-8-10(18)9-24-14/h4-9H,3H2,1-2H3,(H,21,22)