[3-(5-cyanothiophen-2-yl)-1-(triphenylmethyl)pyrazol-4-yl]boronic acid

Systemtic Name: [3-(5-cyanothiophen-2-yl)-1-(triphenylmethyl)pyrazol-4-yl]boronic acid Openeye Name: [3-(5-cyano-2-thienyl)-1-trityl-pyrazol-4-yl]boronic acid CAS Name: [3-(5-cyano-2-thiophenyl)-1-(triphenylmethyl)-4-pyrazolyl]boronic acid IUPAC Name: [3-(5-cyanothiophen-2-yl)-1-tritylpyrazol-4-yl]boronic acid Traditional Name: [3-(5-cyano-2-thienyl)-1-trityl-pyrazol-4-yl]boronic acid Formula: C27H20BN3O2S MolecularWeight: 461.3426

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CN(N=C1C2=CC=C(S2)C#N)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(O)O

Isomeric SMILES

B(C1=CN(N=C1C2=CC=C(S2)C#N)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(O)O

InChI

InChI=1S/C27H20BN3O2S/c29-18-23-16-17-25(34-23)26-24(28(32)33)19-31(30-26)27(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,19,32-33H