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

Systemtic Name: 6-[5-cyclohex-2-en-1-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Openeye Name: 6-[5-cyclohex-2-en-1-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid CAS Name: 6-[5-(1-cyclohex-2-enyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-3-pyridinesulfonic acid IUPAC Name: 6-[5-cyclohex-2-en-1-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Traditional Name: 6-[5-cyclohex-2-en-1-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Formula: C14H13F3N4O3S MolecularWeight: 374.33823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=CC(C1)C2=NC(=NN2C3=NC=C(C=C3)S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

C1CC=CC(C1)C2=NC(=NN2C3=NC=C(C=C3)S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C14H13F3N4O3S/c15-14(16,17)13-19-12(9-4-2-1-3-5-9)21(20-13)11-7-6-10(8-18-11)25(22,23)24/h2,4,6-9H,1,3,5H2,(H,22,23,24)