(2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2,2-diphenylethanoate

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2,2-diphenylethanoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C28H28N2O2S MolecularWeight: 456.59912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C28H28N2O2S/c1-20-25(33-23-18-12-7-13-19-23)26(30(29-20)28(2,3)4)32-27(31)24(21-14-8-5-9-15-21)22-16-10-6-11-17-22/h5-19,24H,1-4H3