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

Systemtic Name: 2,4-dimethyl-[1,3]thiazolo[4,5-b]pyridin-4-ium; 4-methylbenzenesulfonate Openeye Name: 2,4-dimethylthiazolo[4,5-b]pyridin-4-ium; 4-methylbenzenesulfonate CAS Name: 2,4-dimethylthiazolo[4,5-b]pyridin-4-ium; 4-methylbenzenesulfonate IUPAC Name: 2,4-dimethyl-[1,3]thiazolo[4,5-b]pyridin-4-ium; 4-methylbenzenesulfonate Traditional Name: 2,4-dimethylthiazolo[4,5-b]pyridin-4-ium tosylate Formula: C15H16N2O3S2 MolecularWeight: 336.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=NC2=C(S1)C=CC=[N+]2C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=NC2=C(S1)C=CC=[N+]2C

InChI

InChI=1S/C8H9N2S.C7H8O3S/c1-6-9-8-7(11-6)4-3-5-10(8)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