N-(4-butylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(4-butylphenyl)-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:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H20N2O2S/c1-2-3-6-14-8-10-15(11-9-14)18-16(20)13-22-17-7-4-5-12-19(17)21/h4-5,7-12H,2-3,6,13H2,1H3,(H,18,20)