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

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 3-cyclopentylpropanoate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic 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] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C22H29ClN2O2S MolecularWeight: 420.99586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)CCC3CCCC3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)CCC3CCCC3)C(C)(C)C

InChI

InChI=1S/C22H29ClN2O2S/c1-15-20(28-18-12-10-17(23)11-13-18)21(25(24-15)22(2,3)4)27-19(26)14-9-16-7-5-6-8-16/h10-13,16H,5-9,14H2,1-4H3