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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2,2-dimethylpropanoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C19H26N2O2S MolecularWeight: 346.48694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O2S/c1-13-15(24-14-11-9-8-10-12-14)16(21(20-13)19(5,6)7)23-17(22)18(2,3)4/h8-12H,1-7H3