2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole; 4-methylbenzenesulfonic acid

Systemtic Name: 2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole; 4-methylbenzenesulfonic acid Openeye Name: 2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole; 4-methylbenzenesulfonic acid CAS Name: 2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole; 4-methylbenzenesulfonic acid IUPAC Name: 2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole; 4-methylbenzenesulfonic acid Traditional Name: 2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole; tosylic acid Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC2=NC(=NN2N1)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC2=NC(=NN2N1)C

InChI

InChI=1S/C7H8O3S.C6H8N4/c1-6-2-4-7(5-3-6)11(8,9)10;1-4-3-6-7-5(2)9-10(6)8-4/h2-5H,1H3,(H,8,9,10);3,8H,1-2H3