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

Systemtic Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(1H-imidazol-2-ylmethylidene)-4-sulfanyl-piperidin-1-yl]ethanone Openeye Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(1H-imidazol-2-ylmethylene)-4-sulfanyl-1-piperidyl]ethanone CAS Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(1H-imidazol-2-ylmethylidene)-4-mercapto-1-piperidinyl]ethanone IUPAC Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(1H-imidazol-2-ylmethylidene)-4-sulfanylpiperidin-1-yl]ethanone Traditional Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(1H-imidazol-2-ylmethylene)-4-mercapto-piperidino]ethanone Formula: C20H22FN3OS MolecularWeight: 371.471583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(C(=CC4=NC=CN4)C3)S

Isomeric SMILES

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C/C4=NC=CN4)/C3)S

InChI

InChI=1S/C20H22FN3OS/c21-16-4-2-1-3-15(16)19(20(25)13-5-6-13)24-10-7-17(26)14(12-24)11-18-22-8-9-23-18/h1-4,8-9,11,13,17,19,26H,5-7,10,12H2,(H,22,23)/b14-11+