(5-methyl-1-propan-2-yl-pyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane

Systemtic Name: (5-methyl-1-propan-2-yl-pyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane Openeye Name: (1-isopropyl-5-methyl-pyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane CAS Name: (5-methyl-1-propan-2-yl-4-pyrazolyl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane IUPAC Name: (5-methyl-1-propan-2-ylpyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane Traditional Name: (1-isopropyl-5-methyl-pyrazol-4-yl)-phenyl-triflyl-$l^{3}-iodane Formula: C14H16F3IN2O2S MolecularWeight: 460.25372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C(C)C)I(C2=CC=CC=C2)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C=NN1C(C)C)I(C2=CC=CC=C2)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H16F3IN2O2S/c1-10(2)20-11(3)13(9-19-20)18(12-7-5-4-6-8-12)23(21,22)14(15,16)17/h4-10H,1-3H3