2-(4-fluorophenyl)-N5-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide

Systemtic Name: 2-(4-fluorophenyl)-N5-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: 2-(4-fluorophenyl)-N5-[4-(3-pyridylmethylsulfanyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: 2-(4-fluorophenyl)-N5-[4-(3-pyridinylmethylthio)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 2-(4-fluorophenyl)-5-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: 1-(4-fluorophenyl)-N-[4-(3-pyridylmethylthio)phenyl]-2-pyrazoline-3,5-dicarboxamide Formula: C23H20FN5O2S MolecularWeight: 449.500603

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C4=CC=C(C=C4)F)C(=O)N

Isomeric SMILES

C1C(N(N=C1C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C4=CC=C(C=C4)F)C(=O)N

InChI

InChI=1S/C23H20FN5O2S/c24-16-3-7-18(8-4-16)29-21(22(25)30)12-20(28-29)23(31)27-17-5-9-19(10-6-17)32-14-15-2-1-11-26-13-15/h1-11,13,21H,12,14H2,(H2,25,30)(H,27,31)