2-[2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[(3R)-3-(4-fluorophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[[2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-[(5R)-5-(4-fluorophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-6-phenyl-1H-pyrimidin-4-one Formula: C25H19FN4O2S2 MolecularWeight: 490.572363

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CS2)C(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H19FN4O2S2/c26-18-10-8-17(9-11-18)21-13-20(22-7-4-12-33-22)29-30(21)24(32)15-34-25-27-19(14-23(31)28-25)16-5-2-1-3-6-16/h1-12,14,21H,13,15H2,(H,27,28,31)/t21-/m1/s1