5-methyl-6-(4-nitrophenyl)sulfonylazanidyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 5-methyl-6-(4-nitrophenyl)sulfonylazanidyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Openeye Name: 5-methyl-6-(4-nitrophenyl)sulfonylazanidyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-methyl-6-(4-nitrophenyl)sulfonylazanidyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate IUPAC Name: 5-methyl-6-(4-nitrophenyl)sulfonylazanidyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Traditional Name: 5-methyl-6-nosylazanidyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Formula: C12H8N6O5S-2 MolecularWeight: 348.29412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC=NN2C(=C1[N-]S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=NC2=NC=NN2C(=C1[N-]S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H9N6O5S/c1-7-10(11(19)17-12(15-7)13-6-14-17)16-24(22,23)9-4-2-8(3-5-9)18(20)21/h2-6H,1H3,(H,13,14,15,19)/q-1/p-1