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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=NC2=C(C=C1)SC(=[NH+]2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=NC2=C(C=C1)SC(=[NH+]2)SC

InChI

InChI=1S/C8H8N2S2.C7H8O3S/c1-5-3-4-6-7(9-5)10-8(11-2)12-6;1-6-2-4-7(5-3-6)11(8,9)10/h3-4H,1-2H3;2-5H,1H3,(H,8,9,10)