(2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-7-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-7-methyl-1,3-benzothiazole iodide

Systemtic Name: (2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-7-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-7-methyl-1,3-benzothiazole iodide Openeye Name: (2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-7-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-7-methyl-1,3-benzothiazole iodide CAS Name: (2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-7-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-7-methyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-7-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-7-methyl-1,3-benzothiazole iodide Traditional Name: (2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-7-methyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-7-methyl-1,3-benzothiazole iodide Formula: C25H27IN2S2 MolecularWeight: 546.52975

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC(=C2SC1=CC=CC=CC3=[N+](C4=CC=CC(=C4S3)C)CC)C.[I-]

Isomeric SMILES

CCN\1C2=CC=CC(=C2S/C1=C\C=C\C=C\C3=[N+](C4=CC=CC(=C4S3)C)CC)C.[I-]

InChI

InChI=1S/C25H27N2S2.HI/c1-5-26-20-14-10-12-18(3)24(20)28-22(26)16-8-7-9-17-23-27(6-2)21-15-11-13-19(4)25(21)29-23;/h7-17H,5-6H2,1-4H3;1H/q+1;/p-1