3-propyl-1,2,3-benzothiadiazol-3-ium iodide

Systemtic Name: 3-propyl-1,2,3-benzothiadiazol-3-ium iodide Openeye Name: 3-propyl-1,2,3-benzothiadiazol-3-ium iodide CAS Name: 3-propyl-1,2,3-benzothiadiazol-3-ium iodide IUPAC Name: 3-propyl-1,2,3-benzothiadiazol-3-ium iodide Traditional Name: 3-propyl-1,2,3-benzothiadiazol-3-ium iodide Formula: C9H11IN2S MolecularWeight: 306.16651

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=NSC2=CC=CC=C21.[I-]

Isomeric SMILES

CCC[N+]1=NSC2=CC=CC=C21.[I-]

InChI

InChI=1S/C9H11N2S.HI/c1-2-7-11-8-5-3-4-6-9(8)12-10-11;/h3-6H,2,7H2,1H3;1H/q+1;/p-1