N-(2,6-diethylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2,6-diethylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2,6-diethylphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H20N2O2S MolecularWeight: 316.4179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H20N2O2S/c1-3-13-8-7-9-14(4-2)17(13)18-15(20)12-22-16-10-5-6-11-19(16)21/h5-11H,3-4,12H2,1-2H3,(H,18,20)