2-(3-cyano-5-ethanoyl-6-phenyl-pyridin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-phenyl-pyridin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-phenyl-2-pyridyl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[(5-acetyl-3-cyano-6-phenyl-2-pyridinyl)thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-(5-acetyl-3-cyano-6-phenylpyridin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[(5-acetyl-3-cyano-6-phenyl-2-pyridyl)thio]-N-(4-fluorobenzyl)acetamide Formula: C23H18FN3O2S MolecularWeight: 419.471323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCC2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCC2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C23H18FN3O2S/c1-15(28)20-11-18(12-25)23(27-22(20)17-5-3-2-4-6-17)30-14-21(29)26-13-16-7-9-19(24)10-8-16/h2-11H,13-14H2,1H3,(H,26,29)