methyl 2,2-bis[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: methyl 2,2-bis[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: methyl 2,2-bis[2-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]acetate CAS Name: 2,2-bis[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2,2-bis[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2,2-bis[2-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]acetic acid methyl ester Formula: C33H28N6O2 MolecularWeight: 540.61442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)C(C3=NC(=NN3C4=CC=CC=C4)C5=CC=C(C=C5)C)C(=O)OC)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)C(C3=NC(=NN3C4=CC=CC=C4)C5=CC=C(C=C5)C)C(=O)OC)C6=CC=CC=C6

InChI

InChI=1S/C33H28N6O2/c1-22-14-18-24(19-15-22)29-34-31(38(36-29)26-10-6-4-7-11-26)28(33(40)41-3)32-35-30(25-20-16-23(2)17-21-25)37-39(32)27-12-8-5-9-13-27/h4-21,28H,1-3H3