1-(1,3-benzodioxol-5-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C14H11NO4S/c16-11(8-20-14-3-1-2-6-15(14)17)10-4-5-12-13(7-10)19-9-18-12/h1-7H,8-9H2