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

Systemtic Name: 2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide Openeye Name: 2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]-N-(m-tolyl)butanamide CAS Name: 2-[(3-cyano-6-propyl-2-pyridinyl)thio]-N-(3-methylphenyl)butanamide IUPAC Name: 2-(3-cyano-6-propylpyridin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide Traditional Name: 2-[(3-cyano-6-propyl-2-pyridyl)thio]-N-(m-tolyl)butyramide Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C20H23N3OS/c1-4-7-16-11-10-15(13-21)20(23-16)25-18(5-2)19(24)22-17-9-6-8-14(3)12-17/h6,8-12,18H,4-5,7H2,1-3H3,(H,22,24)