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

Systemtic Name: ethyl 5-azanyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]carbonyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-methylsulfanyl-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate CAS Name: 5-amino-3-(methylthio)-1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-methylsulfanyl-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylic acid ethyl ester Formula: C15H14F3N3O3S MolecularWeight: 373.35017

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C(=O)C2=CC=C(C=C2)C(F)(F)F)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C(=O)C2=CC=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C15H14F3N3O3S/c1-3-24-14(23)10-11(19)21(20-12(10)25-2)13(22)8-4-6-9(7-5-8)15(16,17)18/h4-7H,3,19H2,1-2H3