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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 3-cyclopentylpropanoate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C24H25ClN2O2S MolecularWeight: 440.9855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)CCC3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)CCC3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H25ClN2O2S/c1-17-23(30-21-14-12-19(25)13-15-21)24(27(26-17)20-9-3-2-4-10-20)29-22(28)16-11-18-7-5-6-8-18/h2-4,9-10,12-15,18H,5-8,11,16H2,1H3