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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylpropanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]propionamide Formula: C21H14Cl2FN3OS MolecularWeight: 446.324763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC(=C(C=C3)F)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC(=C(C=C3)F)Cl)Cl

InChI

InChI=1S/C21H14Cl2FN3OS/c22-15-4-1-13(2-5-15)19-8-3-14(12-25)21(27-19)29-10-9-20(28)26-16-6-7-18(24)17(23)11-16/h1-8,11H,9-10H2,(H,26,28)