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

Systemtic Name: 4-methylbenzenesulfonate; 5-methyl-2-methylsulfanyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium Openeye Name: 4-methylbenzenesulfonate; 5-methyl-2-methylsulfanyl-1,2-dihydrothiazolo[5,4-c]pyridin-5-ium CAS Name: 4-methylbenzenesulfonate; 5-methyl-2-(methylthio)-1,2-dihydrothiazolo[5,4-c]pyridin-5-ium IUPAC Name: 4-methylbenzenesulfonate; 5-methyl-2-methylsulfanyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium Traditional Name: 5-methyl-2-(methylthio)-1,2-dihydrothiazolo[5,4-c]pyridin-5-ium tosylate Formula: C15H18N2O3S3 MolecularWeight: 370.51002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC2=C(C=C1)NC(S2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC2=C(C=C1)NC(S2)SC

InChI

InChI=1S/C8H10N2S2.C7H8O3S/c1-10-4-3-6-7(5-10)12-8(9-6)11-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,8H,1-2H3;2-5H,1H3,(H,8,9,10)