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

Systemtic Name: 5-chloranyl-2-[2-[(5-chloranyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-ethyl-1,3-benzothiazole bromide Openeye Name: 5-chloro-2-[2-[(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene]-3-ethyl-1,3-benzothiazole bromide CAS Name: 5-chloro-2-[2-[(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-ethyl-1,3-benzothiazole bromide IUPAC Name: 5-chloro-2-[2-[(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-3-ethyl-1,3-benzothiazole bromide Traditional Name: 5-chloro-2-[3-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-ethyl-prop-2-enylidene]-3-ethyl-1,3-benzothiazole bromide Formula: C23H23BrCl2N2S2 MolecularWeight: 542.38212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23Cl2N2S2.BrH/c1-4-15(11-22-26(5-2)18-13-16(24)7-9-20(18)28-22)12-23-27(6-3)19-14-17(25)8-10-21(19)29-23;/h7-14H,4-6H2,1-3H3;1H/q+1;/p-1