2-(3-methyl-1,2,3-thiadiazol-3-ium-5-yl)-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-(3-methyl-1,2,3-thiadiazol-3-ium-5-yl)-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-(3-methylthiadiazol-3-ium-5-yl)-3-oxo-cyclohexen-1-olate CAS Name: 2-(3-methyl-5-thiadiazol-3-iumyl)-3-oxo-1-cyclohexenolate IUPAC Name: 2-(3-methylthiadiazol-3-ium-5-yl)-3-oxocyclohexen-1-olate Traditional Name: 3-keto-2-(3-methylthiadiazol-3-ium-5-yl)cyclohexen-1-olate Formula: C9H10N2O2S MolecularWeight: 210.2529

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NSC(=C1)C2=C(CCCC2=O)[O-]

Isomeric SMILES

C[N+]1=NSC(=C1)C2=C(CCCC2=O)[O-]

InChI

InChI=1S/C9H10N2O2S/c1-11-5-8(14-10-11)9-6(12)3-2-4-7(9)13/h5H,2-4H2,1H3