(2E)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-iodanyl-1,3-benzothiazole bromide

Systemtic Name: (2E)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-iodanyl-1,3-benzothiazole bromide Openeye Name: (2E)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-5-iodo-1,3-benzothiazole bromide CAS Name: (2E)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-iodo-1,3-benzothiazole bromide IUPAC Name: (2E)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-iodo-1,3-benzothiazole bromide Traditional Name: (2E)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-5-iodo-1,3-benzothiazole bromide Formula: C19H18BrIN2S2 MolecularWeight: 545.29809

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)I)SC1=CC3=[N+](C4=CC=CC=C4S3)CC.[Br-]

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)I)S/C1=C/C3=[N+](C4=CC=CC=C4S3)CC.[Br-]

InChI

InChI=1S/C19H18IN2S2.BrH/c1-3-21-14-7-5-6-8-16(14)23-18(21)12-19-22(4-2)15-11-13(20)9-10-17(15)24-19;/h5-12H,3-4H2,1-2H3;1H/q+1;/p-1