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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) cyclohexanecarboxylate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3CCCCC3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3CCCCC3)C(C)(C)C

InChI

InChI=1S/C21H28N2O2S/c1-15-18(26-17-13-9-6-10-14-17)19(23(22-15)21(2,3)4)25-20(24)16-11-7-5-8-12-16/h6,9-10,13-14,16H,5,7-8,11-12H2,1-4H3