N-[bis(azanyl)methylidene]-2-methyl-4-[4-(1,2,4-triazol-4-yl)phenoxy]-5-(trifluoromethyl)benzamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[bis(azanyl)methylidene]-2-methyl-4-[4-(1,2,4-triazol-4-yl)phenoxy]-5-(trifluoromethyl)benzamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-(diaminomethylene)-2-methyl-4-[4-(1,2,4-triazol-4-yl)phenoxy]-5-(trifluoromethyl)benzamide; 2,2,2-trifluoroacetic acid CAS Name: N-(diaminomethylidene)-2-methyl-4-[4-(1,2,4-triazol-4-yl)phenoxy]-5-(trifluoromethyl)benzamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-(diaminomethylidene)-2-methyl-4-[4-(1,2,4-triazol-4-yl)phenoxy]-5-(trifluoromethyl)benzamide; 2,2,2-trifluoroacetic acid Traditional Name: N-(diaminomethylene)-2-methyl-4-[4-(1,2,4-triazol-4-yl)phenoxy]-5-(trifluoromethyl)benzamide; 2,2,2-trifluoroacetic acid Formula: C22H17F9N6O6 MolecularWeight: 632.392609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)N=C(N)N)C(F)(F)F)OC2=CC=C(C=C2)N3C=NN=C3.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)N=C(N)N)C(F)(F)F)OC2=CC=C(C=C2)N3C=NN=C3.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H15F3N6O2.2C2HF3O2/c1-10-6-15(14(18(19,20)21)7-13(10)16(28)26-17(22)23)29-12-4-2-11(3-5-12)27-8-24-25-9-27;2*3-2(4,5)1(6)7/h2-9H,1H3,(H4,22,23,26,28);2*(H,6,7)