[6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl] 4-methylbenzenesulfonate Openeye Name: [6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-(4-nitro-1H-pyrazol-5-yl)-2-pyrazolo[1,5-a]pyrimidinyl] ester IUPAC Name: [6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl] ester Formula: C16H12N6O5S MolecularWeight: 400.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NN3C=C(C=NC3=C2)C4=C(C=NN4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NN3C=C(C=NC3=C2)C4=C(C=NN4)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O5S/c1-10-2-4-12(5-3-10)28(25,26)27-15-6-14-17-7-11(9-21(14)20-15)16-13(22(23)24)8-18-19-16/h2-9H,1H3,(H,18,19)