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

Systemtic Name: (2Z,5E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-3-phenyl-1,3-thiazolidin-4-one; 4-methylbenzenesulfonate Openeye Name: (2Z,5E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-3-phenyl-thiazolidin-4-one; 4-methylbenzenesulfonate CAS Name: (2Z,5E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-3-phenyl-4-thiazolidinone; 4-methylbenzenesulfonate IUPAC Name: (2Z,5E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-3-phenyl-1,3-thiazolidin-4-one; 4-methylbenzenesulfonate Traditional Name: (2Z,5E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-3-phenyl-thiazolidin-4-one tosylate Formula: C34H29N3O4S4 MolecularWeight: 671.87176

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3N(C(=O)C(=C4N(C5=CC=CC=C5S4)C)S3)C6=CC=CC=C6.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C\3/N(C(=O)/C(=C\4/N(C5=CC=CC=C5S4)C)/S3)C6=CC=CC=C6.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C27H22N3OS3.C7H8O3S/c1-3-29-20-14-8-10-16-22(20)32-23(29)17-24-30(18-11-5-4-6-12-18)26(31)25(34-24)27-28(2)19-13-7-9-15-21(19)33-27;1-6-2-4-7(5-3-6)11(8,9)10/h4-17H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b27-25+;