N-(3-chloranyl-4-fluoranyl-phenyl)-3-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanylpropanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]propionamide Formula: C29H23ClFN3O3S MolecularWeight: 548.027623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC(=C(C=C3)F)Cl)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC(=C(C=C3)F)Cl)C4=CC=CC=C4

InChI

InChI=1S/C29H23ClFN3O3S/c1-36-20-9-11-27(37-2)22(15-20)21-16-26(18-6-4-3-5-7-18)34-29(23(21)17-32)38-13-12-28(35)33-19-8-10-25(31)24(30)14-19/h3-11,14-16H,12-13H2,1-2H3,(H,33,35)