(2R)-N-(4-cyanophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2S/c1-11(21-14-4-2-3-9-18(14)20)15(19)17-13-7-5-12(10-16)6-8-13/h2-9,11H,1H3,(H,17,19)/t11-/m1/s1