5-oxidanylidene-7H-pyrrolo[3,2-f][1,3]benzothiazol-5-ium-6-one

Systemtic Name: 5-oxidanylidene-7H-pyrrolo[3,2-f][1,3]benzothiazol-5-ium-6-one Openeye Name: 5-oxo-7H-pyrrolo[3,2-f][1,3]benzothiazol-5-ium-6-one CAS Name: 5-oxo-7H-pyrrolo[3,2-f][1,3]benzothiazol-5-ium-6-one IUPAC Name: 5-oxo-7H-pyrrolo[3,2-f][1,3]benzothiazol-5-ium-6-one Traditional Name: 5-keto-7H-pyrrolo[3,2-f][1,3]benzothiazol-5-ium-6-one Formula: C9H5N2O2S+ MolecularWeight: 205.2132

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC3=C(C=C2[N+](=O)C1=O)SC=N3

Isomeric SMILES

C1C2=CC3=C(C=C2[N+](=O)C1=O)SC=N3

InChI

InChI=1S/C9H5N2O2S/c12-9-2-5-1-6-8(14-4-10-6)3-7(5)11(9)13/h1,3-4H,2H2/q+1