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

Systemtic Name: 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2,5-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C25H23N5O2S2 MolecularWeight: 489.61242

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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=NC5=C4C=CS5

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC4=NC=NC5=C4C=CS5

InChI

InChI=1S/C25H23N5O2S2/c1-15-12-20(21(31)13-34-24-19-10-11-33-23(19)26-14-27-24)16(2)29(15)22-17(3)28(4)30(25(22)32)18-8-6-5-7-9-18/h5-12,14H,13H2,1-4H3