N-tert-butyl-2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-tert-butyl-2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-tert-butyl-propanamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-tert-butylpropanamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-tert-butylpropanamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-tert-butyl-propionamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC(C)C(=O)NC(C)(C)C)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SC(C)C(=O)NC(C)(C)C)C#N)C(=O)C

InChI

InChI=1S/C16H21N3O2S/c1-9-13(10(2)20)7-12(8-17)15(18-9)22-11(3)14(21)19-16(4,5)6/h7,11H,1-6H3,(H,19,21)