3,6-dimethyl-N1,N4-bis[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine-1,4-dicarboxamide

Systemtic Name: 3,6-dimethyl-N1,N4-bis[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine-1,4-dicarboxamide Openeye Name: 3,6-dimethyl-N1,N4-bis[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine-1,4-dicarboxamide CAS Name: 3,6-dimethyl-N1,N4-bis[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine-1,4-dicarboxamide IUPAC Name: 3,6-dimethyl-1-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine-1,4-dicarboxamide Traditional Name: 3,6-dimethyl-N,N'-bis[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine-1,4-dicarboxamide Formula: C20H16F6N6O2 MolecularWeight: 486.370459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=NN1C(=O)NC2=CC=CC(=C2)C(F)(F)F)C)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=NN(C(=NN1C(=O)NC2=CC=CC(=C2)C(F)(F)F)C)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H16F6N6O2/c1-11-29-32(18(34)28-16-8-4-6-14(10-16)20(24,25)26)12(2)30-31(11)17(33)27-15-7-3-5-13(9-15)19(21,22)23/h3-10H,1-2H3,(H,27,33)(H,28,34)