(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(4-chloranylphenoxy)-2-methyl-propanoate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C26H23ClN2O3S MolecularWeight: 478.99042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H23ClN2O3S/c1-18-23(33-22-12-8-5-9-13-22)24(29(28-18)20-10-6-4-7-11-20)31-25(30)26(2,3)32-21-16-14-19(27)15-17-21/h4-17H,1-3H3