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

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(3-chloranyl-4-fluoranyl-phenyl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(3-chloro-4-fluoro-phenyl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(3-chloro-4-fluorophenyl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(3-chloro-4-fluorophenyl)propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(3-chloro-4-fluoro-phenyl)propionamide Formula: C19H19ClFN3OS MolecularWeight: 391.890063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C19H19ClFN3OS/c1-2-3-4-14-6-5-13(12-22)19(24-14)26-10-9-18(25)23-15-7-8-17(21)16(20)11-15/h5-8,11H,2-4,9-10H2,1H3,(H,23,25)