1-phenyl-N-[(4-thiophen-2-ylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-[(4-thiophen-2-ylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-phenyl-N-[[4-(2-thienyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[(4-thiophen-2-ylphenyl)methyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-[(4-thiophen-2-ylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-phenyl-N-[4-(2-thienyl)benzyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C22H16F3N3OS MolecularWeight: 427.44215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC=C(C=C3)C4=CC=CS4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC=C(C=C3)C4=CC=CS4)C(F)(F)F

InChI

InChI=1S/C22H16F3N3OS/c23-22(24,25)20-18(14-27-28(20)17-5-2-1-3-6-17)21(29)26-13-15-8-10-16(11-9-15)19-7-4-12-30-19/h1-12,14H,13H2,(H,26,29)