ethyl 5-methyl-3-methylsulfanyl-1-[2,3,6-tris(chloranyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-3-methylsulfanyl-1-[2,3,6-tris(chloranyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-3-methylsulfanyl-1-(2,3,6-trichlorophenyl)pyrazole-4-carboxylate CAS Name: 5-methyl-3-(methylthio)-1-(2,3,6-trichlorophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-methylsulfanyl-1-(2,3,6-trichlorophenyl)pyrazole-4-carboxylate Traditional Name: 5-methyl-3-(methylthio)-1-(2,3,6-trichlorophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C14H13Cl3N2O2S MolecularWeight: 379.68922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C2=C(C=CC(=C2Cl)Cl)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C2=C(C=CC(=C2Cl)Cl)Cl)C

InChI

InChI=1S/C14H13Cl3N2O2S/c1-4-21-14(20)10-7(2)19(18-13(10)22-3)12-9(16)6-5-8(15)11(12)17/h5-6H,4H2,1-3H3