(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C25H20N6O2 MolecularWeight: 436.4653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=NN=NN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=NN=NN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N6O2/c1-18-12-14-19(15-13-18)24-22(16-30(27-24)20-8-4-2-5-9-20)25(32)33-17-23-26-28-29-31(23)21-10-6-3-7-11-21/h2-16H,17H2,1H3