2,5-dimethyl-7-(phenylsulfonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium

Systemtic Name: 2,5-dimethyl-7-(phenylsulfonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Openeye Name: 7-(benzenesulfonyl)-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium CAS Name: 7-(benzenesulfonyl)-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium IUPAC Name: 7-(benzenesulfonyl)-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Traditional Name: 7-besyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Formula: C13H13N4O2S+ MolecularWeight: 289.33292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C(=N1)N=C(N2)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=[N+]2C(=N1)N=C(N2)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C13H12N4O2S/c1-9-8-12(17-13(14-9)15-10(2)16-17)20(18,19)11-6-4-3-5-7-11/h3-8H,1-2H3/p+1