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

Systemtic Name: N-[3-cyano-4-(4-morpholin-4-ylbutylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-cyano-4-(4-morpholinobutylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-[4-(4-morpholinyl)butylthio]phenyl]-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-cyano-4-(4-morpholin-4-ylbutylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[3-cyano-4-(4-morpholinobutylthio)phenyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C26H28FN5O2S MolecularWeight: 493.596223

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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)SCCCCN4CCOCC4)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)SCCCCN4CCOCC4)C#N

InChI

InChI=1S/C26H28FN5O2S/c1-19-24(18-29-32(19)23-7-4-21(27)5-8-23)26(33)30-22-6-9-25(20(16-22)17-28)35-15-3-2-10-31-11-13-34-14-12-31/h4-9,16,18H,2-3,10-15H2,1H3,(H,30,33)