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

Systemtic Name: (6E)-5-azanylidene-6-[[1-(2,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-6-[[1-(2,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-6-[[1-(2,5-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-6-[[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-6-[[1-(2,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C21H18F3N5OS MolecularWeight: 445.46073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=C2C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC(=C2C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C(F)(F)F)C

InChI

InChI=1S/C21H18F3N5OS/c1-10-5-6-11(2)16(7-10)28-12(3)8-14(13(28)4)9-15-17(25)29-20(26-18(15)30)31-19(27-29)21(22,23)24/h5-9,25H,1-4H3/b15-9+,25-17?