N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-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-(1,1-dioxothiolan-3-yl)propanamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-(1,1-dioxo-3-thiolanyl)propanamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-(1,1-diketothiolan-3-yl)propionamide Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC(C)C(=O)NC2CCS(=O)(=O)C2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SC(C)C(=O)NC2CCS(=O)(=O)C2)C#N)C(=O)C

InChI

InChI=1S/C16H19N3O4S2/c1-9-14(10(2)20)6-12(7-17)16(18-9)24-11(3)15(21)19-13-4-5-25(22,23)8-13/h6,11,13H,4-5,8H2,1-3H3,(H,19,21)