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

Systemtic Name: 5-azanylidene-6-[[1-(3-chloranyl-4-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-2-(methylthio)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-(methylthio)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C19H15ClFN5OS2 MolecularWeight: 447.936703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClFN5OS2/c1-9-6-11(10(2)25(9)12-4-5-15(21)14(20)8-12)7-13-16(22)26-18(23-17(13)27)29-19(24-26)28-3/h4-8,22H,1-3H3