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

Systemtic Name: 5-(4-bromanylthiophen-2-yl)-1-(4-methoxyphenyl)-4-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-(4-bromo-2-thienyl)-1-(4-methoxyphenyl)-4-methyl-pyrazole-3-carboxylic acid CAS Name: 5-(4-bromo-2-thiophenyl)-1-(4-methoxyphenyl)-4-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-bromothiophen-2-yl)-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid Traditional Name: 5-(4-bromo-2-thienyl)-1-(4-methoxyphenyl)-4-methyl-pyrazole-3-carboxylic acid Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)OC)C3=CC(=CS3)Br

Isomeric SMILES

CC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)OC)C3=CC(=CS3)Br

InChI

InChI=1S/C16H13BrN2O3S/c1-9-14(16(20)21)18-19(11-3-5-12(22-2)6-4-11)15(9)13-7-10(17)8-23-13/h3-8H,1-2H3,(H,20,21)