2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(2,6-dimethylphenyl)propanamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(2,6-dimethylphenyl)propionamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C21H25N3OS/c1-5-6-10-18-12-11-17(13-22)21(23-18)26-16(4)20(25)24-19-14(2)8-7-9-15(19)3/h7-9,11-12,16H,5-6,10H2,1-4H3,(H,24,25)