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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(3,5-dimethylphenyl)ethanoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(3,5-dimethylphenyl)acetate CAS Name: 2-(3,5-dimethylphenyl)acetic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 2-(3,5-dimethylphenyl)acetate Traditional Name: 2-(3,5-dimethylphenyl)acetic 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=CC(=CC(=C1)CC(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3)C

InChI

InChI=1S/C24H28N2O2S/c1-16-12-17(2)14-19(13-16)15-21(27)28-23-22(29-20-10-8-7-9-11-20)18(3)25-26(23)24(4,5)6/h7-14H,15H2,1-6H3