2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C14H10N2O3S MolecularWeight: 286.3058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C14H10N2O3S/c17-13-10-5-1-2-6-11(10)14(18)15(13)9-20-12-7-3-4-8-16(12)19/h1-8H,9H2