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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-phenylbutanoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-phenylbutanoate CAS Name: 4-phenylbutanoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-phenylbutanoate Traditional Name: 4-phenylbutyric acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CCCC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CCCC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C24H28N2O2S/c1-18-22(29-20-15-9-6-10-16-20)23(26(25-18)24(2,3)4)28-21(27)17-11-14-19-12-7-5-8-13-19/h5-10,12-13,15-16H,11,14,17H2,1-4H3