(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole; 4-methylbenzenesulfonate

Systemtic Name: (2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole; 4-methylbenzenesulfonate Openeye Name: (2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazole; 4-methylbenzenesulfonate CAS Name: (2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole; 4-methylbenzenesulfonate IUPAC Name: (2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole; 4-methylbenzenesulfonate Traditional Name: (2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazole tosylate Formula: C26H26N2O3S3 MolecularWeight: 510.69124

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=[N+](C4=CC=CC=C4S3)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=CC=CC=C4S3)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C19H19N2S2.C7H8O3S/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19;1-6-2-4-7(5-3-6)11(8,9)10/h5-13H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1