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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-cyclohexylethanoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-cyclohexylacetate CAS Name: 2-cyclohexylacetic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 2-cyclohexylacetate Traditional Name: 2-cyclohexylacetic 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)CC3CCCCC3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CC3CCCCC3)C(C)(C)C

InChI

InChI=1S/C22H30N2O2S/c1-16-20(27-18-13-9-6-10-14-18)21(24(23-16)22(2,3)4)26-19(25)15-17-11-7-5-8-12-17/h6,9-10,13-14,17H,5,7-8,11-12,15H2,1-4H3