(2E)-3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-phenyl-prop-2-ynylidene]-1,3-benzothiazole

Systemtic Name: (2E)-3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-phenyl-prop-2-ynylidene]-1,3-benzothiazole Openeye Name: (2E)-3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-phenyl-prop-2-ynylidene]-1,3-benzothiazole CAS Name: (2E)-3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-phenylprop-2-ynylidene]-1,3-benzothiazole IUPAC Name: (2E)-3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-phenylprop-2-ynylidene]-1,3-benzothiazole Traditional Name: (2E)-3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-phenyl-prop-2-ynylidene]-1,3-benzothiazole Formula: C27H23N2S2+ MolecularWeight: 439.61492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=C(C#CC3=[N+](C4=CC=CC=C4S3)CC)C5=CC=CC=C5

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C(/C#CC3=[N+](C4=CC=CC=C4S3)CC)\C5=CC=CC=C5

InChI

InChI=1S/C27H23N2S2/c1-3-28-22-14-8-10-16-24(22)30-26(28)19-18-21(20-12-6-5-7-13-20)27-29(4-2)23-15-9-11-17-25(23)31-27/h5-17H,3-4H2,1-2H3/q+1