4-methylbenzenesulfonate; 3-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 3-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-3-ium Openeye Name: 4-methylbenzenesulfonate; 3-methyl-2-methylsulfanyl-thiazolo[4,5-b]pyridin-3-ium CAS Name: 4-methylbenzenesulfonate; 3-methyl-2-(methylthio)thiazolo[4,5-b]pyridin-3-ium IUPAC Name: 4-methylbenzenesulfonate; 3-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-3-ium Traditional Name: 3-methyl-2-(methylthio)thiazolo[4,5-b]pyridin-3-ium tosylate Formula: C15H16N2O3S3 MolecularWeight: 368.49414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=C1N=CC=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=C1N=CC=C2)SC

InChI

InChI=1S/C8H9N2S2.C7H8O3S/c1-10-7-6(4-3-5-9-7)12-8(10)11-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1