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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3OS/c21-17-4-2-1-3-16(17)19(20(25)14-5-6-14)24-8-7-18(26)15(12-24)9-13-10-22-23-11-13/h1-4,9-11,14,18-19,26H,5-8,12H2,(H,22,23)/b15-9+