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

Systemtic Name: 4-[2,5-dimethyl-3-(2-phenylsulfanylethanoyl)pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2,5-dimethyl-3-(2-phenylsulfanylacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(phenylthio)ethyl]-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2,5-dimethyl-3-(2-phenylsulfanylacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2,5-dimethyl-3-[2-(phenylthio)acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C25H25N3O2S MolecularWeight: 431.5499

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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=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S/c1-17-15-22(23(29)16-31-21-13-9-6-10-14-21)18(2)27(17)24-19(3)26(4)28(25(24)30)20-11-7-5-8-12-20/h5-15H,16H2,1-4H3