N-(2-cyano-3-methyl-butan-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C14H19N3O2S/c1-10(2)14(4,9-15)16-13(18)11(3)20-12-7-5-6-8-17(12)19/h5-8,10-11H,1-4H3,(H,16,18)