N-(6-nitro-1,3-benzodioxol-5-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

Systemtic Name: N-(6-nitro-1,3-benzodioxol-5-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Openeye Name: N-(6-nitro-1,3-benzodioxol-5-yl)-4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide CAS Name: N-(6-nitro-1,3-benzodioxol-5-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzamide IUPAC Name: N-(6-nitro-1,3-benzodioxol-5-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Traditional Name: N-(6-nitro-1,3-benzodioxol-5-yl)-4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide Formula: C22H13F3N4O5S MolecularWeight: 502.42263

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)NC(=O)C3=CC=C(C=C3)N4C(=CC(=N4)C(F)(F)F)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)NC(=O)C3=CC=C(C=C3)N4C(=CC(=N4)C(F)(F)F)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C22H13F3N4O5S/c23-22(24,25)20-10-16(19-2-1-7-35-19)28(27-20)13-5-3-12(4-6-13)21(30)26-14-8-17-18(34-11-33-17)9-15(14)29(31)32/h1-10H,11H2,(H,26,30)