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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2,2-diphenylethanoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C30H24N2O2S MolecularWeight: 476.58876

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)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H24N2O2S/c1-22-28(35-26-20-12-5-13-21-26)29(32(31-22)25-18-10-4-11-19-25)34-30(33)27(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h2-21,27H,1H3