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

Systemtic Name: [6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl] 4-methylbenzenesulfonate Openeye Name: [6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-(4-nitro-1-pyrazolyl)-2-pyrazolo[1,5-a]pyrimidinyl] ester IUPAC Name: [6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-(4-nitropyrazol-1-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)N4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NN3C=C(C=NC3=C2)N4C=C(C=N4)[N+](=O)[O-]

InChI

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