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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) cyclopentanecarboxylate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3CCCC3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3CCCC3)C(C)(C)C

InChI

InChI=1S/C20H26N2O2S/c1-14-17(25-16-12-6-5-7-13-16)18(22(21-14)20(2,3)4)24-19(23)15-10-8-9-11-15/h5-7,12-13,15H,8-11H2,1-4H3