N-(3-nitrophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-nitrophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(3-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(3-nitrophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(3-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(3-nitrophenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H13N3O4S/c1-10(22-13-7-2-3-8-16(13)19)14(18)15-11-5-4-6-12(9-11)17(20)21/h2-10H,1H3,(H,15,18)