5-azanylidene-6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 5-azanylidene-6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[4-[2-(2,6-dimethylphenoxy)ethoxy]benzylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C23H19F3N4O3S MolecularWeight: 488.48217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCOC2=CC=C(C=C2)C=C3C(=N)N4C(=NC3=O)SC(=N4)C(F)(F)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCOC2=CC=C(C=C2)C=C3C(=N)N4C(=NC3=O)SC(=N4)C(F)(F)F

InChI

InChI=1S/C23H19F3N4O3S/c1-13-4-3-5-14(2)18(13)33-11-10-32-16-8-6-15(7-9-16)12-17-19(27)30-22(28-20(17)31)34-21(29-30)23(24,25)26/h3-9,12,27H,10-11H2,1-2H3