3-methyl-1,3-benzothiazol-3-ium-2-carbothialdehyde iodide

Systemtic Name: 3-methyl-1,3-benzothiazol-3-ium-2-carbothialdehyde iodide Openeye Name: 3-methyl-1,3-benzothiazol-3-ium-2-carbothialdehyde iodide CAS Name: 3-methyl-1,3-benzothiazol-3-ium-2-carbothioaldehyde iodide IUPAC Name: 3-methyl-1,3-benzothiazol-3-ium-2-carbothialdehyde iodide Traditional Name: 3-methyl-1,3-benzothiazol-3-ium-2-carbothialdehyde iodide Formula: C9H8INS2 MolecularWeight: 321.20099

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=S.[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C=S.[I-]

InChI

InChI=1S/C9H8NS2.HI/c1-10-7-4-2-3-5-8(7)12-9(10)6-11;/h2-6H,1H3;1H/q+1;/p-1