N-(3-chloranyl-4-fluoranyl-phenyl)-2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]thio]acetamide Formula: C22H17ClFN3O3S MolecularWeight: 457.905083

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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)NC3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C22H17ClFN3O3S/c1-29-19-8-4-13(9-20(19)30-2)18-7-3-14(11-25)22(27-18)31-12-21(28)26-15-5-6-17(24)16(23)10-15/h3-10H,12H2,1-2H3,(H,26,28)