[2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 2-phenylethanoate

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 2-phenylethanoate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 2-phenylacetate CAS Name: 2-phenylacetic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methylpyrazol-3-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C22H23ClN2O2S MolecularWeight: 414.94822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)CC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)CC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C22H23ClN2O2S/c1-15-20(28-18-12-10-17(23)11-13-18)21(25(24-15)22(2,3)4)27-19(26)14-16-8-6-5-7-9-16/h5-13H,14H2,1-4H3