ethyl 7-oxidanylidene-3-(4-phenylsulfanylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 7-oxidanylidene-3-(4-phenylsulfanylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 7-oxo-3-(4-phenylsulfanylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-oxo-3-[4-(phenylthio)phenyl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-oxo-3-(4-phenylsulfanylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-keto-3-[4-(phenylthio)phenyl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H16F3N3O3S MolecularWeight: 459.44095

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C(NN2C1=O)C(F)(F)F)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C(NN2C1=O)C(F)(F)F)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H16F3N3O3S/c1-2-31-21(30)16-12-26-19-17(18(22(23,24)25)27-28(19)20(16)29)13-8-10-15(11-9-13)32-14-6-4-3-5-7-14/h3-12,27H,2H2,1H3