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

Systemtic Name: (5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic 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-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) ester Formula: C13H11N5O5S MolecularWeight: 349.32194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC(=NC3=NC=NN23)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC(=NC3=NC=NN23)C

InChI

InChI=1S/C13H11N5O5S/c1-8-3-4-10(18(19)20)6-11(8)24(21,22)23-12-5-9(2)16-13-14-7-15-17(12)13/h3-7H,1-2H3