2-[4-cyano-5-(2,2-dimethylpropylamino)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid

Systemtic Name: 2-[4-cyano-5-(2,2-dimethylpropylamino)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Openeye Name: 2-[4-cyano-5-(2,2-dimethylpropylamino)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid CAS Name: 2-[4-cyano-5-(2,2-dimethylpropylamino)-3-(trifluoromethyl)-1-pyrazolyl]-3-pyridinesulfonic acid IUPAC Name: 2-[4-cyano-5-(2,2-dimethylpropylamino)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Traditional Name: 2-[4-cyano-5-(neopentylamino)-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonic acid Formula: C15H16F3N5O3S MolecularWeight: 403.37945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=C(C(=NN1C2=C(C=CC=N2)S(=O)(=O)O)C(F)(F)F)C#N

Isomeric SMILES

CC(C)(C)CNC1=C(C(=NN1C2=C(C=CC=N2)S(=O)(=O)O)C(F)(F)F)C#N

InChI

InChI=1S/C15H16F3N5O3S/c1-14(2,3)8-21-12-9(7-19)11(15(16,17)18)22-23(12)13-10(27(24,25)26)5-4-6-20-13/h4-6,21H,8H2,1-3H3,(H,24,25,26)