ethyl 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carboxylate CAS Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylthio)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carboxylate Traditional Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylthio)pyrazole-3-carboxylic acid ethyl ester Formula: C14H9Cl2F6N3O2S MolecularWeight: 468.201579

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9Cl2F6N3O2S/c1-2-27-12(26)8-10(28-14(20,21)22)11(23)25(24-8)9-6(15)3-5(4-7(9)16)13(17,18)19/h3-4H,2,23H2,1H3