(2Z)-3-ethyl-2-[[(3Z)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-cyclohexen-1-yl]methylidene]-1,3-benzothiazole bromide

Systemtic Name: (2Z)-3-ethyl-2-[[(3Z)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-cyclohexen-1-yl]methylidene]-1,3-benzothiazole bromide Openeye Name: (2Z)-3-ethyl-2-[[(3Z)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-cyclohexen-1-yl]methylene]-1,3-benzothiazole bromide CAS Name: (2Z)-3-ethyl-2-[[(3Z)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1-cyclohexenyl]methylidene]-1,3-benzothiazole bromide IUPAC Name: (2Z)-3-ethyl-2-[[(3Z)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5-methylcyclohexen-1-yl]methylidene]-1,3-benzothiazole bromide Traditional Name: (2Z)-3-ethyl-2-[[(3Z)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-cyclohexen-1-yl]methylene]-1,3-benzothiazole bromide Formula: C29H31BrN2S2 MolecularWeight: 551.60384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC(=CC=CC4=[N+](C5=CC=CC=C5S4)CC)CC(C3)C.[Br-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=C/C(=C\C=C\C4=[N+](C5=CC=CC=C5S4)CC)/CC(C3)C.[Br-]

InChI

InChI=1S/C29H31N2S2.BrH/c1-4-30-24-12-6-8-14-26(24)32-28(30)16-10-11-22-17-21(3)18-23(19-22)20-29-31(5-2)25-13-7-9-15-27(25)33-29;/h6-16,19-21H,4-5,17-18H2,1-3H3;1H/q+1;/p-1