4-methylbenzenesulfonate; 1,2,4-triazol-4-ylazanium

Systemtic Name: 4-methylbenzenesulfonate; 1,2,4-triazol-4-ylazanium Openeye Name: 4-methylbenzenesulfonate; 1,2,4-triazol-4-ylammonium CAS Name: 4-methylbenzenesulfonate; 1,2,4-triazol-4-ylammonium IUPAC Name: 4-methylbenzenesulfonate; 1,2,4-triazol-4-ylazanium Traditional Name: 1,2,4-triazol-4-ylammonium tosylate Formula: C9H12N4O3S MolecularWeight: 256.28158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=NN=CN1[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=NN=CN1[NH3+]

InChI

InChI=1S/C7H8O3S.C2H4N4/c1-6-2-4-7(5-3-6)11(8,9)10;3-6-1-4-5-2-6/h2-5H,1H3,(H,8,9,10);1-2H,3H2