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

Systemtic Name: 6-chloranyl-4-methyl-2-methylsulfanyl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridin-4-ium; 4-methylbenzenesulfonate Openeye Name: 6-chloro-4-methyl-2-methylsulfanyl-2,3-dihydrothiazolo[4,5-b]pyridin-4-ium; 4-methylbenzenesulfonate CAS Name: 6-chloro-4-methyl-2-(methylthio)-2,3-dihydrothiazolo[4,5-b]pyridin-4-ium; 4-methylbenzenesulfonate IUPAC Name: 6-chloro-4-methyl-2-methylsulfanyl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridin-4-ium; 4-methylbenzenesulfonate Traditional Name: 6-chloro-4-methyl-2-(methylthio)-2,3-dihydrothiazolo[4,5-b]pyridin-4-ium tosylate Formula: C15H17ClN2O3S3 MolecularWeight: 404.95508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=CC(=C1)Cl)SC(N2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=CC(=C1)Cl)SC(N2)SC

InChI

InChI=1S/C8H9ClN2S2.C7H8O3S/c1-11-4-5(9)3-6-7(11)10-8(12-2)13-6;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,8H,1-2H3;2-5H,1H3,(H,8,9,10)