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

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-methyl-3-nitro-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(4-methyl-3-nitro-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4S/c1-10-5-6-11(8-12(10)16(19)20)13(17)9-21-14-4-2-3-7-15(14)18/h2-8H,9H2,1H3