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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3-cyclohexylpropanoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C23H32N2O2S MolecularWeight: 400.57738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CCC3CCCCC3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CCC3CCCCC3)C(C)(C)C

InChI

InChI=1S/C23H32N2O2S/c1-17-21(28-19-13-9-6-10-14-19)22(25(24-17)23(2,3)4)27-20(26)16-15-18-11-7-5-8-12-18/h6,9-10,13-14,18H,5,7-8,11-12,15-16H2,1-4H3