4-(5-azanyl-3-methyl-pyrazol-1-yl)-3-nitro-benzenesulfonamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-(5-azanyl-3-methyl-pyrazol-1-yl)-3-nitro-benzenesulfonamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-(5-amino-3-methyl-pyrazol-1-yl)-3-nitro-benzenesulfonamide; 2,2,2-trifluoroacetic acid CAS Name: 4-(5-amino-3-methyl-1-pyrazolyl)-3-nitrobenzenesulfonamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-(5-amino-3-methylpyrazol-1-yl)-3-nitrobenzenesulfonamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-(5-amino-3-methyl-pyrazol-1-yl)-3-nitro-benzenesulfonamide; 2,2,2-trifluoroacetic acid Formula: C12H12F3N5O6S MolecularWeight: 411.31379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)N)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-].C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=NN(C(=C1)N)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-].C(=O)(C(F)(F)F)O

InChI

InChI=1S/C10H11N5O4S.C2HF3O2/c1-6-4-10(11)14(13-6)8-3-2-7(20(12,18)19)5-9(8)15(16)17;3-2(4,5)1(6)7/h2-5H,11H2,1H3,(H2,12,18,19);(H,6,7)