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

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-phenyl-triflyl-$l^{3}-iodane Formula: C18H16F3IN2O2S MolecularWeight: 508.29652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)I(C3=CC=CC=C3)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)I(C3=CC=CC=C3)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H16F3IN2O2S/c1-13-17(14(2)24(23-13)16-11-7-4-8-12-16)22(15-9-5-3-6-10-15)27(25,26)18(19,20)21/h3-12H,1-2H3