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

Systemtic Name: N-(2-nitrophenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Openeye Name: N-(2-nitrophenyl)-4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide CAS Name: N-(2-nitrophenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzamide IUPAC Name: N-(2-nitrophenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Traditional Name: N-(2-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=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4)[N+](=O)[O-]

InChI

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