N-(4-ethylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-ethylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(4-ethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(4-ethylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(4-ethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(4-ethylphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H18N2O2S/c1-3-13-7-9-14(10-8-13)17-16(19)12(2)21-15-6-4-5-11-18(15)20/h4-12H,3H2,1-2H3,(H,17,19)