3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(2,4-dimethylphenyl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(2,4-dimethylphenyl)propionamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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