1-cyclopropyl-2-[(3E)-3-[(1-ethanoyl-5-methyl-pyrazol-3-yl)methylidene]-4-sulfanyl-piperidin-1-yl]-2-(2-fluorophenyl)ethanone

Systemtic Name: 1-cyclopropyl-2-[(3E)-3-[(1-ethanoyl-5-methyl-pyrazol-3-yl)methylidene]-4-sulfanyl-piperidin-1-yl]-2-(2-fluorophenyl)ethanone Openeye Name: 2-[(3E)-3-[(1-acetyl-5-methyl-pyrazol-3-yl)methylene]-4-sulfanyl-1-piperidyl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone CAS Name: 2-[(3E)-3-[(1-acetyl-5-methyl-3-pyrazolyl)methylidene]-4-mercapto-1-piperidinyl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone IUPAC Name: 2-[(3E)-3-[(1-acetyl-5-methylpyrazol-3-yl)methylidene]-4-sulfanylpiperidin-1-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone Traditional Name: 2-[(3E)-3-[(1-acetyl-5-methyl-pyrazol-3-yl)methylene]-4-mercapto-piperidino]-1-cyclopropyl-2-(2-fluorophenyl)ethanone Formula: C23H26FN3O2S MolecularWeight: 427.534843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C)C=C2CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4

Isomeric SMILES

CC1=CC(=NN1C(=O)C)/C=C/2\CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4

InChI

InChI=1S/C23H26FN3O2S/c1-14-11-18(25-27(14)15(2)28)12-17-13-26(10-9-21(17)30)22(23(29)16-7-8-16)19-5-3-4-6-20(19)24/h3-6,11-12,16,21-22,30H,7-10,13H2,1-2H3/b17-12+