(1-butyl-3,5-dimethyl-pyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane

Systemtic Name: (1-butyl-3,5-dimethyl-pyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane Openeye Name: (1-butyl-3,5-dimethyl-pyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane CAS Name: (1-butyl-3,5-dimethyl-4-pyrazolyl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane IUPAC Name: (1-butyl-3,5-dimethylpyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane Traditional Name: (1-butyl-3,5-dimethyl-pyrazol-4-yl)-phenyl-triflyl-$l^{3}-iodane Formula: C16H20F3IN2O2S MolecularWeight: 488.30688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)I(C2=CC=CC=C2)S(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)I(C2=CC=CC=C2)S(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C16H20F3IN2O2S/c1-4-5-11-22-13(3)15(12(2)21-22)20(14-9-7-6-8-10-14)25(23,24)16(17,18)19/h6-10H,4-5,11H2,1-3H3