1-ethyl-3,5-dimethyl-4-phenyliodanuidyl-pyrazole; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 1-ethyl-3,5-dimethyl-4-phenyliodanuidyl-pyrazole; tris(fluoranyl)methanesulfonic acid Openeye Name: 1-ethyl-3,5-dimethyl-4-phenyliodanuidyl-pyrazole; trifluoromethanesulfonic acid CAS Name: 1-ethyl-3,5-dimethyl-4-phenyliodanuidylpyrazole; trifluoromethanesulfonic acid IUPAC Name: 1-ethyl-3,5-dimethyl-4-phenyliodanuidylpyrazole; trifluoromethanesulfonic acid Traditional Name: 1-ethyl-3,5-dimethyl-4-phenyliodanuidyl-pyrazole; triflic acid Formula: C14H17F3IN2O3S- MolecularWeight: 477.26106

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)[I-]C2=CC=CC=C2)C.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

CCN1C(=C(C(=N1)C)[I-]C2=CC=CC=C2)C.C(F)(F)(F)S(=O)(=O)O

InChI

InChI=1S/C13H16IN2.CHF3O3S/c1-4-16-11(3)13(10(2)15-16)14-12-8-6-5-7-9-12;2-1(3,4)8(5,6)7/h5-9H,4H2,1-3H3;(H,5,6,7)/q-1;