5-azanylidene-6-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 5-azanylidene-6-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylene]-5-imino-2-(2-thienyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-3-pyrrolyl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-5-imino-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylene]-5-imino-2-(2-thienyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C23H16F3N5OS2 MolecularWeight: 499.53125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CC=CS5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CC=CS5

InChI

InChI=1S/C23H16F3N5OS2/c1-12-9-14(13(2)30(12)16-6-3-5-15(11-16)23(24,25)26)10-17-19(27)31-22(28-20(17)32)34-21(29-31)18-7-4-8-33-18/h3-11,27H,1-2H3