5-(4-methoxyphenyl)-3-(4-methylphenyl)-2-phenyl-1H-1,2,4,3-triazaborole

Systemtic Name: 5-(4-methoxyphenyl)-3-(4-methylphenyl)-2-phenyl-1H-1,2,4,3-triazaborole Openeye Name: 5-(4-methoxyphenyl)-2-phenyl-3-(p-tolyl)-1H-1,2,4,3-triazaborole CAS Name: 5-(4-methoxyphenyl)-3-(4-methylphenyl)-2-phenyl-1H-1,2,4,3-triazaborole IUPAC Name: 5-(4-methoxyphenyl)-3-(4-methylphenyl)-2-phenyl-1H-1,2,4,3-triazaborole Traditional Name: 5-(4-methoxyphenyl)-2-phenyl-3-(p-tolyl)-1H-1,2,4,3-triazaborole Formula: C21H20BN3O MolecularWeight: 341.214

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Descriptors Computed from Structure

Canonical SMILES:

B1(N=C(NN1C2=CC=CC=C2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C

Isomeric SMILES

B1(N=C(NN1C2=CC=CC=C2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H20BN3O/c1-16-8-12-18(13-9-16)22-23-21(17-10-14-20(26-2)15-11-17)24-25(22)19-6-4-3-5-7-19/h3-15H,1-2H3,(H,23,24)