(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) 2-methylbenzenesulfonate

Systemtic Name: (5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) 2-methylbenzenesulfonate Openeye Name: (5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid (5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) ester IUPAC Name: (5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid (5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) ester Formula: C13H12N4O3S MolecularWeight: 304.32438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OC2=CC(=NC3=NC=NN23)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OC2=CC(=NC3=NC=NN23)C

InChI

InChI=1S/C13H12N4O3S/c1-9-5-3-4-6-11(9)21(18,19)20-12-7-10(2)16-13-14-8-15-17(12)13/h3-8H,1-2H3