(2S)-N-(3-chloranyl-4-cyano-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-cyano-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(3-chloro-4-cyano-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(3-chloro-4-cyanophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: (2S)-N-(3-chloro-4-cyanophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(3-chloro-4-cyano-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C15H12ClN3O2S MolecularWeight: 333.79268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O2S/c1-10(22-14-4-2-3-7-19(14)21)15(20)18-12-6-5-11(9-17)13(16)8-12/h2-8,10H,1H3,(H,18,20)/t10-/m0/s1