(2Z)-3-methyl-2-[(2E)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole bromide dihydrate

Systemtic Name: (2Z)-3-methyl-2-[(2E)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole bromide dihydrate Openeye Name: (2Z)-3-methyl-2-[(2E)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene]-1,3-benzothiazole bromide dihydrate CAS Name: (2Z)-3-methyl-2-[(2E)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole bromide dihydrate IUPAC Name: (2Z)-3-methyl-2-[(2E)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole bromide dihydrate Traditional Name: (2Z)-2-[(E)-2-ethyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-1,3-benzothiazole bromide dihydrate Formula: C21H25BrN2O2S2 MolecularWeight: 481.4694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC/C(=C\C1=[N+](C2=CC=CC=C2S1)C)/C=C\3/N(C4=CC=CC=C4S3)C.O.O.[Br-]

InChI

InChI=1S/C21H21N2S2.BrH.2H2O/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;1H;2*1H2/q+1;;;/p-1