2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(5-chloranyl-2-methyl-phenyl)butanamide

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(5-chloranyl-2-methyl-phenyl)butanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(5-chloro-2-methyl-phenyl)butanamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(5-chloro-2-methylphenyl)butanamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(5-chloro-2-methyl-phenyl)butyramide Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3OS/c1-4-6-7-17-11-9-15(13-23)21(24-17)27-19(5-2)20(26)25-18-12-16(22)10-8-14(18)3/h8-12,19H,4-7H2,1-3H3,(H,25,26)