3-ethyl-2-methyl-5-nitro-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-ethyl-2-methyl-5-nitro-1,3-benzothiazol-3-ium iodide Openeye Name: 3-ethyl-2-methyl-5-nitro-1,3-benzothiazol-3-ium iodide CAS Name: 3-ethyl-2-methyl-5-nitro-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-ethyl-2-methyl-5-nitro-1,3-benzothiazol-3-ium iodide Traditional Name: 3-ethyl-2-methyl-5-nitro-1,3-benzothiazol-3-ium iodide Formula: C10H11IN2O2S MolecularWeight: 350.17601

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])C.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])C.[I-]

InChI

InChI=1S/C10H11N2O2S.HI/c1-3-11-7(2)15-10-5-4-8(12(13)14)6-9(10)11;/h4-6H,3H2,1-2H3;1H/q+1;/p-1