1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-N-(2-oxidanylbutyl)-5-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: 1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-N-(2-oxidanylbutyl)-5-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-N-(2-hydroxybutyl)-5-(2-thienyl)pyrazole-4-carboxamide CAS Name: 1-[4-(4-fluorophenyl)-5-methyl-2-pyrimidinyl]-N-(2-hydroxybutyl)-5-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-hydroxybutyl)-5-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-N-(2-hydroxybutyl)-5-(2-thienyl)pyrazole-4-carboxamide Formula: C23H22FN5O2S MolecularWeight: 451.516483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=C(N(N=C1)C2=NC=C(C(=N2)C3=CC=C(C=C3)F)C)C4=CC=CS4)O

Isomeric SMILES

CCC(CNC(=O)C1=C(N(N=C1)C2=NC=C(C(=N2)C3=CC=C(C=C3)F)C)C4=CC=CS4)O

InChI

InChI=1S/C23H22FN5O2S/c1-3-17(30)12-25-22(31)18-13-27-29(21(18)19-5-4-10-32-19)23-26-11-14(2)20(28-23)15-6-8-16(24)9-7-15/h4-11,13,17,30H,3,12H2,1-2H3,(H,25,31)