N-(2-cyanoethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-phenyl-propionamide Formula: C17H17N3O2S MolecularWeight: 327.40078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-14(23-16-10-5-6-13-20(16)22)17(21)19(12-7-11-18)15-8-3-2-4-9-15/h2-6,8-10,13-14H,7,12H2,1H3