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

Systemtic Name: (6E)-5-azanylidene-6-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-6-[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methylene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-6-[[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-6-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-6-[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methylene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C20H16F3N5OS MolecularWeight: 431.43415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F3N5OS/c1-10-4-6-14(7-5-10)27-11(2)8-13(12(27)3)9-15-16(24)28-19(25-17(15)29)30-18(26-28)20(21,22)23/h4-9,24H,1-3H3/b15-9+,24-16?