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

Systemtic Name: 4-[(3R)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-oxo-4-[(3R)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]butanoate CAS Name: 4-[(3R)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(5R)-5-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-3-(2-thienyl)-3-pyrazolin-1-yl]butyrate Formula: C27H23N4O3S- MolecularWeight: 483.56152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C3C=C(NN3C(=O)CCC(=O)[O-])C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2[C@H]3C=C(NN3C(=O)CCC(=O)[O-])C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3S/c1-18-9-11-19(12-10-18)27-21(17-30(29-27)20-6-3-2-4-7-20)23-16-22(24-8-5-15-35-24)28-31(23)25(32)13-14-26(33)34/h2-12,15-17,23,28H,13-14H2,1H3,(H,33,34)/p-1/t23-/m1/s1