2-phenyl-N5-[3-(2-thiophen-2-ylethynyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide

Systemtic Name: 2-phenyl-N5-[3-(2-thiophen-2-ylethynyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: 2-phenyl-N5-[3-[2-(2-thienyl)ethynyl]phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: 2-phenyl-N5-[3-(2-thiophen-2-ylethynyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 2-phenyl-5-N-[3-(2-thiophen-2-ylethynyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: 1-phenyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]-2-pyrazoline-3,5-dicarboxamide Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C(N(N=C1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C23H18N4O2S/c24-22(28)21-15-20(26-27(21)18-8-2-1-3-9-18)23(29)25-17-7-4-6-16(14-17)11-12-19-10-5-13-30-19/h1-10,13-14,21H,15H2,(H2,24,28)(H,25,29)