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

Systemtic Name: 5-[3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-oxo-5-[3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]pentanoic acid CAS Name: 5-[3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[5-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-3-(2-thienyl)-2-pyrazolin-1-yl]valeric acid Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3S/c1-19-12-14-20(15-13-19)28-22(18-31(30-28)21-7-3-2-4-8-21)24-17-23(25-9-6-16-36-25)29-32(24)26(33)10-5-11-27(34)35/h2-4,6-9,12-16,18,24H,5,10-11,17H2,1H3,(H,34,35)