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

Systemtic Name: (5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) 4-acetamidobenzenesulfonate Openeye Name: (5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic 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) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl) ester Formula: C14H13N5O4S MolecularWeight: 347.34912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC=NN2C(=C1)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=NC2=NC=NN2C(=C1)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C14H13N5O4S/c1-9-7-13(19-14(17-9)15-8-16-19)23-24(21,22)12-5-3-11(4-6-12)18-10(2)20/h3-8H,1-2H3,(H,18,20)