N-[3-cyano-4-(morpholin-4-ylmethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-cyano-4-(morpholin-4-ylmethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-cyano-4-(morpholinomethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-(4-morpholinylmethylthio)phenyl]-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-cyano-4-(morpholin-4-ylmethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[3-cyano-4-(morpholinomethylthio)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C23H22FN5O2S MolecularWeight: 451.516483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)SCN4CCOCC4)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)SCN4CCOCC4)C#N

InChI

InChI=1S/C23H22FN5O2S/c1-16-21(14-26-29(16)20-5-2-18(24)3-6-20)23(30)27-19-4-7-22(17(12-19)13-25)32-15-28-8-10-31-11-9-28/h2-7,12,14H,8-11,15H2,1H3,(H,27,30)