methane; 3-methyl-2-[2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole; bromide

Systemtic Name: methane; 3-methyl-2-[2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole; bromide Openeye Name: methane; 3-methyl-2-[2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene]-1,3-benzothiazole; bromide CAS Name: methane; 3-methyl-2-[2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole; bromide IUPAC Name: methane; 3-methyl-2-[2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole; bromide Traditional Name: 2-[2-ethyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-1,3-benzothiazole; methane; bromide Formula: C23H29BrN2S2 MolecularWeight: 477.52376

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Descriptors Computed from Structure

Canonical SMILES:

C.C.CCC(=CC1=[N+](C2=CC=CC=C2S1)C)C=C3N(C4=CC=CC=C4S3)C.[Br-]

Isomeric SMILES

C.C.CCC(=CC1=[N+](C2=CC=CC=C2S1)C)C=C3N(C4=CC=CC=C4S3)C.[Br-]

InChI

InChI=1S/C21H21N2S2.2CH4.BrH/c1-4-15(13-20-22(2)16-9-5-7-11-18(16)24-20)14-21-23(3)17-10-6-8-12-19(17)25-21;;;/h5-14H,4H2,1-3H3;2*1H4;1H/q+1;;;/p-1