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

Systemtic Name: 4-methylbenzenesulfonate; (5E)-3-methyl-2-methylsulfanyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazol-3-ium-4-one Openeye Name: 4-methylbenzenesulfonate; (5E)-3-methyl-2-methylsulfanyl-5-(3-methylthiazolidin-2-ylidene)thiazol-3-ium-4-one CAS Name: 4-methylbenzenesulfonate; (5E)-3-methyl-5-(3-methyl-2-thiazolidinylidene)-2-(methylthio)-4-thiazol-3-iumone IUPAC Name: 4-methylbenzenesulfonate; (5E)-3-methyl-2-methylsulfanyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazol-3-ium-4-one Traditional Name: (5E)-3-methyl-5-(3-methylthiazolidin-2-ylidene)-2-(methylthio)-2-thiazolin-3-ium-4-one tosylate Formula: C16H20N2O4S4 MolecularWeight: 432.601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1CCSC1=C2C(=O)[N+](=C(S2)SC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN\1CCS/C1=C/2\C(=O)[N+](=C(S2)SC)C

InChI

InChI=1S/C9H13N2OS3.C7H8O3S/c1-10-4-5-14-8(10)6-7(12)11(2)9(13-3)15-6;1-6-2-4-7(5-3-6)11(8,9)10/h4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b8-6+;