ethyl 5-azanyl-3-methylsulfanyl-1-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-methylsulfanyl-1-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-methylsulfanyl-1-[2-nitro-4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate CAS Name: 5-amino-3-(methylthio)-1-[[2-nitro-4-(trifluoromethyl)phenyl]-oxomethyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-methylsulfanyl-1-[2-nitro-4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-[2-nitro-4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylic acid ethyl ester Formula: C15H13F3N4O5S MolecularWeight: 418.34773

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])N

InChI

InChI=1S/C15H13F3N4O5S/c1-3-27-14(24)10-11(19)21(20-12(10)28-2)13(23)8-5-4-7(15(16,17)18)6-9(8)22(25)26/h4-6H,3,19H2,1-2H3