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

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(3-methoxyphenyl)butanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(3-methoxyphenyl)butanamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(3-methoxyphenyl)butanamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(3-methoxyphenyl)butanamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(3-methoxyphenyl)butyramide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC(=CC=C2)OC

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C21H25N3O2S/c1-4-6-8-16-12-11-15(14-22)21(24-16)27-19(5-2)20(25)23-17-9-7-10-18(13-17)26-3/h7,9-13,19H,4-6,8H2,1-3H3,(H,23,25)