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

Systemtic Name: (1-butyl-5-methyl-pyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane Openeye Name: (1-butyl-5-methyl-pyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane CAS Name: (1-butyl-5-methyl-4-pyrazolyl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane IUPAC Name: (1-butyl-5-methylpyrazol-4-yl)-phenyl-(trifluoromethylsulfonyl)-$l^{3}-iodane Traditional Name: (1-butyl-5-methyl-pyrazol-4-yl)-phenyl-triflyl-$l^{3}-iodane Formula: C15H18F3IN2O2S MolecularWeight: 474.2803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18F3IN2O2S/c1-3-4-10-21-12(2)14(11-20-21)19(13-8-6-5-7-9-13)24(22,23)15(16,17)18/h5-9,11H,3-4,10H2,1-2H3