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

Systemtic Name: 2-phenyl-N5-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: 2-phenyl-N5-[4-(3-pyridylmethylsulfanyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: 2-phenyl-N5-[4-(3-pyridinylmethylthio)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 2-phenyl-5-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: 1-phenyl-N-[4-(3-pyridylmethylthio)phenyl]-2-pyrazoline-3,5-dicarboxamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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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=CC=C4)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O2S/c24-22(29)21-13-20(27-28(21)18-6-2-1-3-7-18)23(30)26-17-8-10-19(11-9-17)31-15-16-5-4-12-25-14-16/h1-12,14,21H,13,15H2,(H2,24,29)(H,26,30)