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

Systemtic Name: 6-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Openeye Name: 6-[5-(3-pyridyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid CAS Name: 6-[5-(3-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-3-pyridinesulfonic acid IUPAC Name: 6-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Traditional Name: 6-[5-(3-pyridyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Formula: C13H8F3N5O3S MolecularWeight: 371.29453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8F3N5O3S/c14-13(15,16)12-19-11(8-2-1-5-17-6-8)21(20-12)10-4-3-9(7-18-10)25(22,23)24/h1-7H,(H,22,23,24)