[2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 2,2-diphenylethanoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 2,2-diphenylethanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid [2-tert-butyl-5-methyl-4-[(4-methylphenyl)thio]-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C29H30N2O2S MolecularWeight: 470.6257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O2S/c1-20-16-18-24(19-17-20)34-26-21(2)30-31(29(3,4)5)27(26)33-28(32)25(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-19,25H,1-5H3