(2Z)-5-chloranyl-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole; 4-methylbenzenesulfonate

Systemtic Name: (2Z)-5-chloranyl-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole; 4-methylbenzenesulfonate Openeye Name: (2Z)-5-chloro-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazole; 4-methylbenzenesulfonate CAS Name: (2Z)-5-chloro-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole; 4-methylbenzenesulfonate IUPAC Name: (2Z)-5-chloro-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole; 4-methylbenzenesulfonate Traditional Name: (2Z)-5-chloro-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazole tosylate Formula: C26H25ClN2O3S3 MolecularWeight: 545.1363

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)Cl)SC1=CC3=[N+](C4=CC=CC=C4S3)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN2S2.C7H8O3S/c1-3-21-14-7-5-6-8-16(14)23-18(21)12-19-22(4-2)15-11-13(20)9-10-17(15)24-19;1-6-2-4-7(5-3-6)11(8,9)10/h5-12H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1