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

Systemtic Name: 2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]thio]-N-(4-fluorobenzyl)acetamide Formula: C23H20FN3O3S MolecularWeight: 437.486603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C23H20FN3O3S/c1-29-20-10-6-16(11-21(20)30-2)19-9-5-17(12-25)23(27-19)31-14-22(28)26-13-15-3-7-18(24)8-4-15/h3-11H,13-14H2,1-2H3,(H,26,28)