N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Openeye Name: N-[3-cyano-4-(2-morpholinoethylsulfanyl)phenyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-[2-(4-morpholinyl)ethylthio]phenyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Traditional Name: N-[3-cyano-4-(2-morpholinoethylthio)phenyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Formula: C25H24F3N5O2S MolecularWeight: 515.55057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)SCCN4CCOCC4)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)SCCN4CCOCC4)C#N

InChI

InChI=1S/C25H24F3N5O2S/c1-17-22(16-30-33(17)21-5-2-19(3-6-21)25(26,27)28)24(34)31-20-4-7-23(18(14-20)15-29)36-13-10-32-8-11-35-12-9-32/h2-7,14,16H,8-13H2,1H3,(H,31,34)