4,5-dimethoxy-2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4,5-dimethoxy-2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C12H9F3N4O5S MolecularWeight: 378.28387

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C12H9F3N4O5S/c1-23-7-3-5(6(19(21)22)4-8(7)24-2)9(20)16-11-18-17-10(25-11)12(13,14)15/h3-4H,1-2H3,(H,16,18,20)