2-[(E)-but-1-enyl]-3-methyl-2H-1,3-benzothiazole iodide

Systemtic Name: 2-[(E)-but-1-enyl]-3-methyl-2H-1,3-benzothiazole iodide Openeye Name: 2-[(E)-but-1-enyl]-3-methyl-2H-1,3-benzothiazole iodide CAS Name: 2-[(E)-but-1-enyl]-3-methyl-2H-1,3-benzothiazole iodide IUPAC Name: 2-[(E)-but-1-enyl]-3-methyl-2H-1,3-benzothiazole iodide Traditional Name: 2-[(E)-but-1-enyl]-3-methyl-2H-1,3-benzothiazole iodide Formula: C12H15INS- MolecularWeight: 332.22367

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1N(C2=CC=CC=C2S1)C.[I-]

Isomeric SMILES

CC/C=C/C1N(C2=CC=CC=C2S1)C.[I-]

InChI

InChI=1S/C12H15NS.HI/c1-3-4-9-12-13(2)10-7-5-6-8-11(10)14-12;/h4-9,12H,3H2,1-2H3;1H/p-1/b9-4+;