2-[3-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-sulfanyl-piperidin-3-ylidene]methyl]pyrazol-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[3-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-sulfanyl-piperidin-3-ylidene]methyl]pyrazol-1-yl]-N-methyl-ethanamide Openeye Name: 2-[3-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-sulfanyl-3-piperidylidene]methyl]pyrazol-1-yl]-N-methyl-acetamide CAS Name: 2-[3-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-mercapto-3-piperidinylidene]methyl]-1-pyrazolyl]-N-methylacetamide IUPAC Name: 2-[3-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]pyrazol-1-yl]-N-methylacetamide Traditional Name: 2-[3-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-4-mercapto-3-piperidylidene]methyl]pyrazol-1-yl]-N-methyl-acetamide Formula: C23H27FN4O2S MolecularWeight: 442.549483

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN1C=CC(=N1)C=C2CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4

Isomeric SMILES

CNC(=O)CN1C=CC(=N1)/C=C/2\CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4

InChI

InChI=1S/C23H27FN4O2S/c1-25-21(29)14-28-11-8-17(26-28)12-16-13-27(10-9-20(16)31)22(23(30)15-6-7-15)18-4-2-3-5-19(18)24/h2-5,8,11-12,15,20,22,31H,6-7,9-10,13-14H2,1H3,(H,25,29)/b16-12+