3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(3-chloranyl-4-fluoranyl-phenyl)propanamide

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(3-chloranyl-4-fluoranyl-phenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-(3-chloro-4-fluoro-phenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(3-chloro-4-fluorophenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(3-chloro-4-fluorophenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-(3-chloro-4-fluoro-phenyl)propionamide Formula: C24H19ClFN5OS MolecularWeight: 479.956963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC(=C(C=C3)F)Cl)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC(=C(C=C3)F)Cl)N)C#N

InChI

InChI=1S/C24H19ClFN5OS/c1-2-14-3-5-15(6-4-14)22-17(12-27)23(29)31-24(18(22)13-28)33-10-9-21(32)30-16-7-8-20(26)19(25)11-16/h3-8,11H,2,9-10H2,1H3,(H2,29,31)(H,30,32)