N-(4-nitrophenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

Systemtic Name: N-(4-nitrophenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Openeye Name: N-(4-nitrophenyl)-4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide CAS Name: N-(4-nitrophenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzamide IUPAC Name: N-(4-nitrophenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Traditional Name: N-(4-nitrophenyl)-4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide Formula: C21H13F3N4O3S MolecularWeight: 458.41313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H13F3N4O3S/c22-21(23,24)19-12-17(18-2-1-11-32-18)27(26-19)15-7-3-13(4-8-15)20(29)25-14-5-9-16(10-6-14)28(30)31/h1-12H,(H,25,29)