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ethyl 4-phenylsulfanyl-2-[4-(trifluoromethyl)phenyl]carbonyl-pyrazole-3-carboxylate

ethyl 4-phenylsulfanyl-2-[4-(trifluoromethyl)phenyl]carbonyl-pyrazole-3-carboxylate

Systemtic Name:ethyl 4-phenylsulfanyl-2-[4-(trifluoromethyl)phenyl]carbonyl-pyrazole-3-carboxylate
Openeye Name:ethyl 4-phenylsulfanyl-2-[4-(trifluoromethyl)benzoyl]pyrazole-3-carboxylate
CAS Name:2-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-(phenylthio)-3-pyrazolecarboxylic acid ethyl ester
IUPAC Name:ethyl 4-phenylsulfanyl-2-[4-(trifluoromethyl)benzoyl]pyrazole-3-carboxylate
Traditional Name:4-(phenylthio)-2-[4-(trifluoromethyl)benzoyl]pyrazole-3-carboxylic acid ethyl ester
Formula: C20H15F3N2O3S
MolecularWeight: 420.40491
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1C(=O)C2=CC=C(C=C2)C(F)(F)F)SC3=CC=CC=C3


Isomeric SMILES

CCOC(=O)C1=C(C=NN1C(=O)C2=CC=C(C=C2)C(F)(F)F)SC3=CC=CC=C3


InChI

InChI=1S/C20H15F3N2O3S/c1-2-28-19(27)17-16(29-15-6-4-3-5-7-15)12-24-25(17)18(26)13-8-10-14(11-9-13)20(21,22)23/h3-12H,2H2,1H3


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