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

Systemtic Name: 5-azanylidene-6-[[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[1-(3-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C19H13BrF3N5OS MolecularWeight: 496.30363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrF3N5OS/c1-9-6-11(10(2)27(9)13-5-3-4-12(20)8-13)7-14-15(24)28-18(25-16(14)29)30-17(26-28)19(21,22)23/h3-8,24H,1-2H3