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

Systemtic Name: N-[3-cyano-4-(3-morpholin-4-ylpropylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-cyano-4-(3-morpholinopropylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-[3-(4-morpholinyl)propylthio]phenyl]-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-cyano-4-(3-morpholin-4-ylpropylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[3-cyano-4-(3-morpholinopropylthio)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C25H26FN5O2S MolecularWeight: 479.569643

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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)SCCCN4CCOCC4)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)SCCCN4CCOCC4)C#N

InChI

InChI=1S/C25H26FN5O2S/c1-18-23(17-28-31(18)22-6-3-20(26)4-7-22)25(32)29-21-5-8-24(19(15-21)16-27)34-14-2-9-30-10-12-33-13-11-30/h3-8,15,17H,2,9-14H2,1H3,(H,29,32)