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

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(3-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(3-chloro-2-methylphenyl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(3-chloro-2-methylphenyl)propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3OS/c1-3-4-6-16-10-9-15(13-22)20(23-16)26-12-11-19(25)24-18-8-5-7-17(21)14(18)2/h5,7-10H,3-4,6,11-12H2,1-2H3,(H,24,25)