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

Systemtic Name: 5-azanylidene-6-[[1-(3-chloranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-(4-fluorophenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[1-(3-chloro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-(4-fluorophenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-2-(4-fluorophenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(4-fluorophenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[[1-(3-chloro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-(4-fluorophenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C25H19ClFN5OS MolecularWeight: 491.967663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CC=C(C=C5)F)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CC=C(C=C5)F)C)Cl

InChI

InChI=1S/C25H19ClFN5OS/c1-13-4-9-19(12-21(13)26)31-14(2)10-17(15(31)3)11-20-22(28)32-25(29-23(20)33)34-24(30-32)16-5-7-18(27)8-6-16/h4-12,28H,1-3H3