(1-ethyl-5-methyl-pyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane

Systemtic Name: (1-ethyl-5-methyl-pyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane Openeye Name: (1-ethyl-5-methyl-pyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane CAS Name: (1-ethyl-5-methyl-4-pyrazolyl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane IUPAC Name: (1-ethyl-5-methylpyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane Traditional Name: (1-ethyl-5-methyl-pyrazol-4-yl)-phenyl-triflyl-$l^{3}-iodane Formula: C13H14F3IN2O2S MolecularWeight: 446.22714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)I(C2=CC=CC=C2)S(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CCN1C(=C(C=N1)I(C2=CC=CC=C2)S(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C13H14F3IN2O2S/c1-3-19-10(2)12(9-18-19)17(11-7-5-4-6-8-11)22(20,21)13(14,15)16/h4-9H,3H2,1-2H3