2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylazanium; 4-methylbenzenesulfonate

Systemtic Name: 2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylazanium; 4-methylbenzenesulfonate Openeye Name: 2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylammonium; 4-methylbenzenesulfonate CAS Name: 2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylammonium; 4-methylbenzenesulfonate IUPAC Name: 2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylazanium; 4-methylbenzenesulfonate Traditional Name: 2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylammonium tosylate Formula: C17H25N5O3S MolecularWeight: 379.4771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C1=CC2=NN=C(N2N1)CC[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C1=CC2=NN=C(N2N1)CC[NH3+]

InChI

InChI=1S/C10H17N5.C7H8O3S/c1-10(2,3)7-6-9-13-12-8(4-5-11)15(9)14-7;1-6-2-4-7(5-3-6)11(8,9)10/h6,14H,4-5,11H2,1-3H3;2-5H,1H3,(H,8,9,10)