(2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-5-methyl-1,3-benzothiazole iodide

Systemtic Name: (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-5-methyl-1,3-benzothiazole iodide Openeye Name: (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene]-5-methyl-1,3-benzothiazole iodide CAS Name: (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-5-methyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-5-methyl-1,3-benzothiazole iodide Traditional Name: (2Z)-3-ethyl-2-[(E)-2-ethyl-3-(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzothiazole iodide Formula: C25H29IN2S2 MolecularWeight: 548.54563

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)C)CC)C=C3N(C4=C(S3)C=CC(=C4)C)CC.[I-]

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)C)CC)/C=C\3/N(C4=C(S3)C=CC(=C4)C)CC.[I-]

InChI

InChI=1S/C25H29N2S2.HI/c1-6-19(15-24-26(7-2)20-13-17(4)9-11-22(20)28-24)16-25-27(8-3)21-14-18(5)10-12-23(21)29-25;/h9-16H,6-8H2,1-5H3;1H/q+1;/p-1