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

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-(4-fluorobenzyl)acetamide Formula: C18H16FN3O2S MolecularWeight: 357.401943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)NCC2=CC=C(C=C2)F)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)NCC2=CC=C(C=C2)F)C#N)C(=O)C

InChI

InChI=1S/C18H16FN3O2S/c1-11-16(12(2)23)7-14(8-20)18(22-11)25-10-17(24)21-9-13-3-5-15(19)6-4-13/h3-7H,9-10H2,1-2H3,(H,21,24)