[2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 3-phenylpropanoate

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 3-phenylpropanoate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methylpyrazol-3-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C23H25ClN2O2S MolecularWeight: 428.9748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)CCC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)CCC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C23H25ClN2O2S/c1-16-21(29-19-13-11-18(24)12-14-19)22(26(25-16)23(2,3)4)28-20(27)15-10-17-8-6-5-7-9-17/h5-9,11-14H,10,15H2,1-4H3