4-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(4-bromophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(4-bromophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN2O3S/c18-12-5-3-11(4-6-12)14-10-13(15-2-1-9-24-15)19-20(14)16(21)7-8-17(22)23/h1-6,9,14H,7-8,10H2,(H,22,23)