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

Systemtic Name: 5-(5-bromanylthiophen-2-yl)-4-ethyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 5-(5-bromo-2-thienyl)-4-ethyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 5-(5-bromo-2-thiophenyl)-4-ethyl-1-(4-methoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(5-bromothiophen-2-yl)-4-ethyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(5-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=C(S3)Br

Isomeric SMILES

CCC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)OC)C3=CC=C(S3)Br

InChI

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