(2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3-cyclopentylpropanoate

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3-cyclopentylpropanoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2S/c1-16-20(27-18-12-6-5-7-13-18)21(24(23-16)22(2,3)4)26-19(25)15-14-17-10-8-9-11-17/h5-7,12-13,17H,8-11,14-15H2,1-4H3