(2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-[2,4-bis(chloranyl)phenoxy]ethanoate

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-[2,4-bis(chloranyl)phenoxy]ethanoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(2,4-dichlorophenoxy)acetate CAS Name: 2-(2,4-dichlorophenoxy)acetic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 2-(2,4-dichlorophenoxy)acetate Traditional Name: 2-(2,4-dichlorophenoxy)acetic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C22H22Cl2N2O3S MolecularWeight: 465.39268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)COC3=C(C=C(C=C3)Cl)Cl)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)COC3=C(C=C(C=C3)Cl)Cl)C(C)(C)C

InChI

InChI=1S/C22H22Cl2N2O3S/c1-14-20(30-16-8-6-5-7-9-16)21(26(25-14)22(2,3)4)29-19(27)13-28-18-11-10-15(23)12-17(18)24/h5-12H,13H2,1-4H3