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

Systemtic Name: 5-azanylidene-6-[[1-(3-chloranyl-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[1-(3-chloro-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[[1-(3-chloro-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C19H16ClN5OS MolecularWeight: 397.88124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5OS/c1-10-7-13(12(3)24(10)16-6-4-5-15(20)11(16)2)8-14-17(21)25-19(23-18(14)26)27-9-22-25/h4-9,21H,1-3H3