4-methylbenzenesulfonate; (5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-3-phenyl-1,3-thiazol-3-ium-4-one

Systemtic Name: 4-methylbenzenesulfonate; (5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-3-phenyl-1,3-thiazol-3-ium-4-one Openeye Name: 4-methylbenzenesulfonate; (5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-3-phenyl-thiazol-3-ium-4-one CAS Name: 4-methylbenzenesulfonate; (5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)-3-phenyl-4-thiazol-3-iumone IUPAC Name: 4-methylbenzenesulfonate; (5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-3-phenyl-1,3-thiazol-3-ium-4-one Traditional Name: (5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)-3-phenyl-2-thiazolin-3-ium-4-one tosylate Formula: C25H22N2O4S4 MolecularWeight: 542.71318

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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(S3)SC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C18H15N2OS3.C7H8O3S/c1-19-13-10-6-7-11-14(13)23-17(19)15-16(21)20(18(22-2)24-15)12-8-4-3-5-9-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-11H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b17-15+;