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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]propionamide Formula: C22H17ClFN3OS MolecularWeight: 425.906283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H17ClFN3OS/c1-14-2-4-15(5-3-14)20-9-6-16(13-25)22(27-20)29-11-10-21(28)26-17-7-8-19(24)18(23)12-17/h2-9,12H,10-11H2,1H3,(H,26,28)