N-(1-cyanocyclohexyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H19N3O2S/c1-12(21-13-7-3-6-10-18(13)20)14(19)17-15(11-16)8-4-2-5-9-15/h3,6-7,10,12H,2,4-5,8-9H2,1H3,(H,17,19)