4-methylbenzenesulfonate; 2,6,7-trimethylimidazo[2,1-b][1,3,4]thiadiazol-7-ium

Systemtic Name: 4-methylbenzenesulfonate; 2,6,7-trimethylimidazo[2,1-b][1,3,4]thiadiazol-7-ium Openeye Name: 4-methylbenzenesulfonate; 2,6,7-trimethylimidazo[2,1-b][1,3,4]thiadiazol-7-ium CAS Name: 4-methylbenzenesulfonate; 2,6,7-trimethylimidazo[2,1-b][1,3,4]thiadiazol-7-ium IUPAC Name: 4-methylbenzenesulfonate; 2,6,7-trimethylimidazo[2,1-b][1,3,4]thiadiazol-7-ium Traditional Name: 2,6,7-trimethylimidazo[2,1-b][1,3,4]thiadiazol-7-ium tosylate Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CN2C(=[N+]1C)SC(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CN2C(=[N+]1C)SC(=N2)C

InChI

InChI=1S/C7H10N3S.C7H8O3S/c1-5-4-10-7(9(5)3)11-6(2)8-10;1-6-2-4-7(5-3-6)11(8,9)10/h4H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1