6-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-sulfonic acid

Systemtic Name: 6-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-sulfonic acid Openeye Name: 6-[5-(3-pyridyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-sulfonic acid CAS Name: 6-[5-(3-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-3-pyridazinesulfonic acid IUPAC Name: 6-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-sulfonic acid Traditional Name: 6-[5-(3-pyridyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-sulfonic acid Formula: C12H7F3N6O3S MolecularWeight: 372.28259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=NN2C3=NN=C(C=C3)S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=NN2C3=NN=C(C=C3)S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C12H7F3N6O3S/c13-12(14,15)11-17-10(7-2-1-5-16-6-7)21(20-11)8-3-4-9(19-18-8)25(22,23)24/h1-6H,(H,22,23,24)