(2R)-N-(5-chloranylpyridin-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(5-chloranylpyridin-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(5-chloro-2-pyridyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(5-chloro-2-pyridinyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: (2R)-N-(5-chloropyridin-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(5-chloro-2-pyridyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C13H12ClN3O2S MolecularWeight: 309.77128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=NC=C(C=C1)Cl)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H12ClN3O2S/c1-9(20-12-4-2-3-7-17(12)19)13(18)16-11-6-5-10(14)8-15-11/h2-9H,1H3,(H,15,16,18)/t9-/m1/s1