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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(3-methylphenyl)ethanoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(m-tolyl)acetate CAS Name: 2-(3-methylphenyl)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-methylphenyl)acetate Traditional Name: 2-(m-tolyl)acetic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C23H26N2O2S MolecularWeight: 394.52974

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O2S/c1-16-10-9-11-18(14-16)15-20(26)27-22-21(28-19-12-7-6-8-13-19)17(2)24-25(22)23(3,4)5/h6-14H,15H2,1-5H3