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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[(3-cyano-6-phenyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-(3-cyano-6-phenylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[(3-cyano-6-phenyl-2-pyridyl)thio]propionamide Formula: C21H15ClFN3OS MolecularWeight: 411.879703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClFN3OS/c22-17-12-16(7-8-18(17)23)25-20(27)10-11-28-21-15(13-24)6-9-19(26-21)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,25,27)