3-pentyl-2-[3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide

Systemtic Name: 3-pentyl-2-[3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide Openeye Name: 3-pentyl-2-[3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide CAS Name: 3-pentyl-2-[3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide IUPAC Name: 3-pentyl-2-[3-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide Traditional Name: 3-amyl-2-[3-(3-amyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide Formula: C27H33IN2S2 MolecularWeight: 576.59879

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CCCCC.[I-]

Isomeric SMILES

CCCCCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CCCCC.[I-]

InChI

InChI=1S/C27H33N2S2.HI/c1-3-5-11-20-28-22-14-7-9-16-24(22)30-26(28)18-13-19-27-29(21-12-6-4-2)23-15-8-10-17-25(23)31-27;/h7-10,13-19H,3-6,11-12,20-21H2,1-2H3;1H/q+1;/p-1