7-nitro-2-oxidanidyl-2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-3H-isoindol-2-ium-1-one

Systemtic Name: 7-nitro-2-oxidanidyl-2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-3H-isoindol-2-ium-1-one Openeye Name: 7-nitro-2-oxido-2-(2-thioxo-3H-1,3-benzothiazol-6-yl)isoindolin-2-ium-1-one CAS Name: 7-nitro-2-oxido-2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-3H-isoindol-2-ium-1-one IUPAC Name: 7-nitro-2-oxido-2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-3H-isoindol-2-ium-1-one Traditional Name: 7-nitro-2-oxido-2-(2-thioxo-3H-1,3-benzothiazol-6-yl)isoindolin-2-ium-1-one Formula: C15H9N3O4S2 MolecularWeight: 359.37966

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)[N+]1(C3=CC4=C(C=C3)NC(=S)S4)[O-]

Isomeric SMILES

C1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)[N+]1(C3=CC4=C(C=C3)NC(=S)S4)[O-]

InChI

InChI=1S/C15H9N3O4S2/c19-14-13-8(2-1-3-11(13)17(20)21)7-18(14,22)9-4-5-10-12(6-9)24-15(23)16-10/h1-6H,7H2,(H,16,23)