4-methylbenzenesulfonate; (2Z,5E)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one

Systemtic Name: 4-methylbenzenesulfonate; (2Z,5E)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one Openeye Name: 4-methylbenzenesulfonate; (2Z,5E)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylene]thiazolidin-4-one CAS Name: 4-methylbenzenesulfonate; (2Z,5E)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-4-thiazolidinone IUPAC Name: 4-methylbenzenesulfonate; (2Z,5E)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one Traditional Name: (2Z,5E)-3-methyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylene]thiazolidin-4-one tosylate Formula: C26H25N3O4S3 MolecularWeight: 539.6894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2SC1=C3C(=O)N(C(=CC4=CC=CC=[N+]4C)S3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN\1C2=CC=CC=C2S/C1=C/3\C(=O)N(/C(=C/C4=CC=CC=[N+]4C)/S3)C

InChI

InChI=1S/C19H18N3OS2.C7H8O3S/c1-20-11-7-6-8-13(20)12-16-22(3)18(23)17(25-16)19-21(2)14-9-4-5-10-15(14)24-19;1-6-2-4-7(5-3-6)11(8,9)10/h4-12H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b19-17+;