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

Systemtic Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(pyridin-3-ylmethylidene)-4-sulfanyl-piperidin-1-yl]ethanone Openeye Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(3-pyridylmethylene)-4-sulfanyl-1-piperidyl]ethanone CAS Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-mercapto-3-(3-pyridinylmethylidene)-1-piperidinyl]ethanone IUPAC Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(pyridin-3-ylmethylidene)-4-sulfanylpiperidin-1-yl]ethanone Traditional Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-mercapto-3-(3-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=CN=CC=C4)C3)S

Isomeric SMILES

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

InChI

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