2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(o-tolyl)butanamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(2-methylphenyl)butanamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(o-tolyl)butyramide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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