[3-(4-methylsulfanylphenyl)-1-(triphenylmethyl)pyrazol-4-yl]boronic acid

Systemtic Name: [3-(4-methylsulfanylphenyl)-1-(triphenylmethyl)pyrazol-4-yl]boronic acid Openeye Name: [3-(4-methylsulfanylphenyl)-1-trityl-pyrazol-4-yl]boronic acid CAS Name: [3-[4-(methylthio)phenyl]-1-(triphenylmethyl)-4-pyrazolyl]boronic acid IUPAC Name: [3-(4-methylsulfanylphenyl)-1-tritylpyrazol-4-yl]boronic acid Traditional Name: [3-[4-(methylthio)phenyl]-1-trityl-pyrazol-4-yl]boronic acid Formula: C29H25BN2O2S MolecularWeight: 476.397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CN(N=C1C2=CC=C(C=C2)SC)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(O)O

Isomeric SMILES

B(C1=CN(N=C1C2=CC=C(C=C2)SC)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(O)O

InChI

InChI=1S/C29H25BN2O2S/c1-35-26-19-17-22(18-20-26)28-27(30(33)34)21-32(31-28)29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21,33-34H,1H3