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

Systemtic Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(pyrazin-2-ylmethylidene)-4-sulfanyl-piperidin-1-yl]ethanone Openeye Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(pyrazin-2-ylmethylene)-4-sulfanyl-1-piperidyl]ethanone CAS Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-mercapto-3-(2-pyrazinylmethylidene)-1-piperidinyl]ethanone IUPAC Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(pyrazin-2-ylmethylidene)-4-sulfanylpiperidin-1-yl]ethanone Traditional Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-4-mercapto-3-(pyrazin-2-ylmethylene)piperidino]ethanone Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3OS/c22-18-4-2-1-3-17(18)20(21(26)14-5-6-14)25-10-7-19(27)15(13-25)11-16-12-23-8-9-24-16/h1-4,8-9,11-12,14,19-20,27H,5-7,10,13H2/b15-11+