4-[3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[5-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-3-(2-thienyl)-2-pyrazolin-1-yl]butyric acid Formula: C27H24N4O4S MolecularWeight: 500.56886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O4S/c1-35-20-11-9-18(10-12-20)27-21(17-30(29-27)19-6-3-2-4-7-19)23-16-22(24-8-5-15-36-24)28-31(23)25(32)13-14-26(33)34/h2-12,15,17,23H,13-14,16H2,1H3,(H,33,34)