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

Systemtic Name: (5E)-5-(3,4-dimethyl-1,3-thiazol-2-ylidene)-3-methyl-2-methylsulfanyl-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Openeye Name: (5E)-5-(3,4-dimethylthiazol-2-ylidene)-3-methyl-2-methylsulfanyl-thiazol-3-ium-4-one; 4-methylbenzenesulfonate CAS Name: (5E)-5-(3,4-dimethyl-2-thiazolylidene)-3-methyl-2-(methylthio)-4-thiazol-3-iumone; 4-methylbenzenesulfonate IUPAC Name: (5E)-5-(3,4-dimethyl-1,3-thiazol-2-ylidene)-3-methyl-2-methylsulfanyl-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Traditional Name: (5E)-5-(3,4-dimethyl-4-thiazolin-2-ylidene)-3-methyl-2-(methylthio)-2-thiazolin-3-ium-4-one tosylate Formula: C17H20N2O4S4 MolecularWeight: 444.6117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CSC(=C2C(=O)[N+](=C(S2)SC)C)N1C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CS/C(=C/2\C(=O)[N+](=C(S2)SC)C)/N1C

InChI

InChI=1S/C10H13N2OS3.C7H8O3S/c1-6-5-15-9(11(6)2)7-8(13)12(3)10(14-4)16-7;1-6-2-4-7(5-3-6)11(8,9)10/h5H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b9-7+;