1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(pyridin-4-ylmethylidene)-4-sulfanyl-piperidin-1-yl]ethanone

Systemtic Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(pyridin-4-ylmethylidene)-4-sulfanyl-piperidin-1-yl]ethanone Openeye Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(4-pyridylmethylene)-4-sulfanyl-1-piperidyl]ethanone CAS Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-mercapto-3-(pyridin-4-ylmethylidene)-1-piperidinyl]ethanone IUPAC Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(pyridin-4-ylmethylidene)-4-sulfanylpiperidin-1-yl]ethanone Traditional Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-mercapto-3-(4-pyridylmethylene)piperidino]ethanone Formula: C22H23FN2OS MolecularWeight: 382.494223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(C(=CC4=CC=NC=C4)C3)S

Isomeric SMILES

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C/C4=CC=NC=C4)/C3)S

InChI

InChI=1S/C22H23FN2OS/c23-19-4-2-1-3-18(19)21(22(26)16-5-6-16)25-12-9-20(27)17(14-25)13-15-7-10-24-11-8-15/h1-4,7-8,10-11,13,16,20-21,27H,5-6,9,12,14H2/b17-13+