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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(C(=CC4=CC=CC=N4)C3)S

Isomeric SMILES

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C/C4=CC=CC=N4)/C3)S

InChI

InChI=1S/C22H23FN2OS/c23-19-7-2-1-6-18(19)21(22(26)15-8-9-15)25-12-10-20(27)16(14-25)13-17-5-3-4-11-24-17/h1-7,11,13,15,20-21,27H,8-10,12,14H2/b16-13+