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

Systemtic Name: 4-[2,5-dimethyl-3-[2-(1-methylimidazol-2-yl)sulfanylethanoyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2,5-dimethyl-3-[2-(1-methylimidazol-2-yl)sulfanylacetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2,5-dimethyl-3-[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2,5-dimethyl-3-[2-(1-methylimidazol-2-yl)sulfanylacetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2,5-dimethyl-3-[2-[(1-methylimidazol-2-yl)thio]acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C23H25N5O2S MolecularWeight: 435.5419

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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=CN4C

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC4=NC=CN4C

InChI

InChI=1S/C23H25N5O2S/c1-15-13-19(20(29)14-31-23-24-11-12-25(23)4)16(2)27(15)21-17(3)26(5)28(22(21)30)18-9-7-6-8-10-18/h6-13H,14H2,1-5H3