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

Systemtic Name: 4-[2,5-dimethyl-3-[2-(1-propylimidazol-2-yl)sulfanylethanoyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2,5-dimethyl-3-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-[(1-propyl-2-imidazolyl)thio]ethyl]-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2,5-dimethyl-3-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2,5-dimethyl-3-[2-[(1-propylimidazol-2-yl)thio]acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SCC(=O)C2=C(N(C(=C2)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

Isomeric SMILES

CCCN1C=CN=C1SCC(=O)C2=C(N(C(=C2)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

InChI

InChI=1S/C25H29N5O2S/c1-6-13-28-14-12-26-25(28)33-16-22(31)21-15-17(2)29(18(21)3)23-19(4)27(5)30(24(23)32)20-10-8-7-9-11-20/h7-12,14-15H,6,13,16H2,1-5H3