4-[2,5-dimethyl-3-(2-pyrimidin-2-ylsulfanylethanoyl)pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[2,5-dimethyl-3-(2-pyrimidin-2-ylsulfanylethanoyl)pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2,5-dimethyl-3-(2-pyrimidin-2-ylsulfanylacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(2-pyrimidinylthio)ethyl]-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2,5-dimethyl-3-(2-pyrimidin-2-ylsulfanylacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2,5-dimethyl-3-[2-(2-pyrimidylthio)acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C23H23N5O2S/c1-15-13-19(20(29)14-31-23-24-11-8-12-25-23)16(2)27(15)21-17(3)26(4)28(22(21)30)18-9-6-5-7-10-18/h5-13H,14H2,1-4H3