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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 2,2-dimethylpropanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic 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-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C20H28N2O2S MolecularWeight: 360.51352

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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2S/c1-13-9-11-15(12-10-13)25-16-14(2)21-22(20(6,7)8)17(16)24-18(23)19(3,4)5/h9-12H,1-8H3