N-(4-methyl-3-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4S/c1-10-5-6-11(8-12(10)17(20)21)15-13(18)9-22-14-4-2-3-7-16(14)19/h2-8H,9H2,1H3,(H,15,18)