N-[4-(diethylamino)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(diethylamino)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(diethylamino)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[4-(diethylamino)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[4-(diethylamino)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-(diethylamino)phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-3-19(4-2)15-10-8-14(9-11-15)18-16(21)13-23-17-7-5-6-12-20(17)22/h5-12H,3-4,13H2,1-2H3,(H,18,21)