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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NN=C1N2C(=NC(=N2)C(F)(F)F)C3=CC=NC=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=NN=C1N2C(=NC(=N2)C(F)(F)F)C3=CC=NC=C3)S(=O)(=O)O

InChI

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