1-(4-fluorophenyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]pyrazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]pyrazole-3-carboxamide Formula: C22H14FN3OS MolecularWeight: 387.429463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)C3=CC=C(C=C3)F)C#CC4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)C3=CC=C(C=C3)F)C#CC4=CC=CS4

InChI

InChI=1S/C22H14FN3OS/c23-17-7-9-19(10-8-17)26-13-12-21(25-26)22(27)24-18-4-1-3-16(15-18)6-11-20-5-2-14-28-20/h1-5,7-10,12-15H,(H,24,27)